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CAS 1599131-44-8 1-methyl-2-oxopyrrolidine-3-sulfonamide molecular structure lightbox
CAS RN: 1599131-44-8

1-methyl-2-oxopyrrolidine-3-sulfonamide

  • Product code: SSC-067900
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1599131-44-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

1599131-44-8 / 1-methyl-2-oxopyrrolidine-3-sulfonamide

Standard CAS: 1599131-44-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1599131-44-8
Multi CAS
No
Molecular Formula
C5H10N2O3S
Molecular Weight
178.210000
Exact Mass
178.041213
SMILES
CN1CCC(C1=O)S(=O)(=O)N
InChI
InChI=1S/C5H10N2O3S/c1-7-3-2-4(5(7)8)11(6,9)10/h4H,2-3H2,1H3,(H2,6,9,10)
InChIKey
UVTKASFRDINUKG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
39.15
TPSA
80.47

LogP / Solubility

WLOGP
-1.49
MLOGP
-1.32
XLogP3
-0.8
Consensus LogP
-1.2
Log S (ESOL)
0.06
Class (ESOL)
Highly soluble
Log S (Ali)
0.06
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.3
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.87

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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