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CAS 1206969-17-6 Pyrrolidine-3-sulfonic acid dimethylamide molecular structure lightbox
CAS RN: 1206969-17-6

Pyrrolidine-3-sulfonic acid dimethylamide

  • Product code: SSC-021796
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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: 1g
  • 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 1206969-17-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1206969-17-6 / N,N-dimethylpyrrolidine-3-sulfonamide

N,N-DIMETHYLPYRROLIDINE-3-SULFONAMIDE | pyrrolidine-3-sulfonic acid dimethylamide | N,N-dimethyl-3-Pyrrolidinesulfonamide

Standard CAS: 1206969-17-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1206969-17-6
Multi CAS
No
Molecular Formula
C6H14N2O2S
Molecular Weight
178.260000
Exact Mass
178.077599
SMILES
CN(C)S(=O)(=O)C1CCNC1
InChI
InChI=1S/C6H14N2O2S/c1-8(2)11(9,10)6-3-4-7-5-6/h6-7H,3-5H2,1-2H3
InChIKey
YQDAMPMHGDNPED-UHFFFAOYSA-N
Synonyms
N,N-DIMETHYLPYRROLIDINE-3-SULFONAMIDE pyrrolidine-3-sulfonic acid dimethylamide N,N-dimethyl-3-Pyrrolidinesulfonamide 3-pyrrolidinesulfonamide, N,N-dimethyl-, hydrochloride SCHEMBL14167470

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
43.88
TPSA
49.41

LogP / Solubility

WLOGP
-0.76
MLOGP
-0.67
XLogP3
-0.7
Consensus LogP
-0.71
Log S (ESOL)
-0.33
Class (ESOL)
Very soluble
Log S (Ali)
-0.47
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.43
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.35

Drug-likeness / Medicinal Chemistry

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

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