N-(2-sulfamoylethyl)-2-[(1S,5R)-3,3,5-trimethylcyclohexyl]acetamide

C13H26N2O3S — CID 95180129

IUPACN-(2-sulfamoylethyl)-2-[(1S,5R)-3,3,5-trimethylcyclohexyl]acetamide
SMILESC[C@@H]1C[C@H](CC(=O)NCCS(N)(=O)=O)CC(C)(C)C1
InChIInChI=1S/C13H26N2O3S/c1-10-6-11(9-13(2,3)8-10)7-12(16)15-4-5-19(14,17)18/h10-11H,4-9H2,1-3H3,(H,15,16)(H2,14,17,18)/t10-,11-/m1/s1
InChIKeyVOHGYNFDRQZONT-GHMZBOCLSA-N
MW290.43 g/mol
LogP1.24
Rot. Bonds5

About N-(2-sulfamoylethyl)-2-[(1S,5R)-3,3,5-trimethylcyclohexyl]acetamide

N-(2-sulfamoylethyl)-2-[(1S,5R)-3,3,5-trimethylcyclohexyl]acetamide (PubChem CID 95180129) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is N-(2-sulfamoylethyl)-2-[(1S,5R)-3,3,5-trimethylcyclohexyl]acetamide.

Molecular Properties

Compound NameN-(2-sulfamoylethyl)-2-[(1S,5R)-3,3,5-trimethylcyclohexyl]acetamide
PubChem CID95180129
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC NameN-(2-sulfamoylethyl)-2-[(1S,5R)-3,3,5-trimethylcyclohexyl]acetamide
SMILESC[C@@H]1C[C@H](CC(=O)NCCS(N)(=O)=O)CC(C)(C)C1
InChIInChI=1S/C13H26N2O3S/c1-10-6-11(9-13(2,3)8-10)7-12(16)15-4-5-19(14,17)18/h10-11H,4-9H2,1-3H3,(H,15,16)(H2,14,17,18)/t10-,11-/m1/s1
InChIKeyVOHGYNFDRQZONT-GHMZBOCLSA-N
XLogP1.24
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-sulfamoylethyl)-2-[(1S,5R)-3,3,5-trimethylcyclohexyl]acetamide?
The IUPAC name of N-(2-sulfamoylethyl)-2-[(1S,5R)-3,3,5-trimethylcyclohexyl]acetamide (CID 95180129) is N-(2-sulfamoylethyl)-2-[(1S,5R)-3,3,5-trimethylcyclohexyl]acetamide.
What is the SMILES notation for N-(2-sulfamoylethyl)-2-[(1S,5R)-3,3,5-trimethylcyclohexyl]acetamide?
The canonical SMILES for N-(2-sulfamoylethyl)-2-[(1S,5R)-3,3,5-trimethylcyclohexyl]acetamide is C[C@@H]1C[C@H](CC(=O)NCCS(N)(=O)=O)CC(C)(C)C1.
What is the InChIKey of N-(2-sulfamoylethyl)-2-[(1S,5R)-3,3,5-trimethylcyclohexyl]acetamide?
The InChIKey is VOHGYNFDRQZONT-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-10-6-11(9-13(2,3)8-10)7-12(16)15-4-5-19(14,17)18/h10-11H,4-9H2,1-3H3,(H,15,16)(H2,14,17,18)/t10-,11-/m1/s1.
What are the key properties of N-(2-sulfamoylethyl)-2-[(1S,5R)-3,3,5-trimethylcyclohexyl]acetamide?
N-(2-sulfamoylethyl)-2-[(1S,5R)-3,3,5-trimethylcyclohexyl]acetamide has a molecular weight of 290.43 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-sulfamoylethyl)-2-[(1S,5R)-3,3,5-trimethylcyclohexyl]acetamide is sourced from PubChem (CID 95180129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).