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CAS 206066-14-0 2,2-DiMethylpropanesulfonaMide molecular structure lightbox
CAS RN: 206066-14-0

2,2-DiMethylpropanesulfonaMide

  • Product code: SSC-097176
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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 206066-14-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

206066-14-0 / 2,2-dimethylpropane-1-sulfonamide

Standard CAS: 206066-14-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
206066-14-0
Multi CAS
No
Molecular Formula
C5H13NO2S
Molecular Weight
151.230000
Exact Mass
151.066700
SMILES
CC(C)(C)CS(=O)(=O)N
InChI
InChI=1S/C5H13NO2S/c1-5(2,3)4-9(6,7)8/h4H2,1-3H3,(H2,6,7,8)
InChIKey
VQXWDAAONGOPPT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
37.43
TPSA
60.16

LogP / Solubility

WLOGP
0.32
MLOGP
0.28
XLogP3
0.7
Consensus LogP
0.43
Log S (ESOL)
-0.91
Class (ESOL)
Very soluble
Log S (Ali)
-1.03
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.03
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
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)
-3.41

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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