CAS RN: 1247844-67-2
N-(2-Sulfamoylethyl)cyclohexanecarboxamide
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250407 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: LINN929591
1247844-67-2 / N-(2-sulfamoylethyl)cyclohexanecarboxamide
Basic Information
CAS
1247844-67-2
Multi CAS
No
Molecular Formula
C9H18N2O3S
Molecular Weight
234.320000
Exact Mass
234.103814
SMILES
C1CCC(CC1)C(=O)NCCS(=O)(=O)N
InChI
InChI=1S/C9H18N2O3S/c10-15(13,14)7-6-11-9(12)8-4-2-1-3-5-8/h8H,1-7H2,(H,11,12)(H2,10,13,14)
InChIKey
VIBMNPZNGHNSDO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.89
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
57.56
TPSA
89.26
LogP / Solubility
WLOGP
-0.03
MLOGP
-0.02
XLogP3
0.3
Consensus LogP
0.08
Log S (ESOL)
-1.01
Class (ESOL)
Soluble
Log S (Ali)
-1.46
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.64
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
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)
-4.17
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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