(1S)-2,2-dimethyl-N-(2-sulfamoylethyl)cyclohexane-1-carboxamide

C11H22N2O3S — CID 164630921

IUPAC(1S)-2,2-dimethyl-N-(2-sulfamoylethyl)cyclohexane-1-carboxamide
SMILESCC1(C)CCCC[C@@H]1C(=O)NCCS(N)(=O)=O
InChIInChI=1S/C11H22N2O3S/c1-11(2)6-4-3-5-9(11)10(14)13-7-8-17(12,15)16/h9H,3-8H2,1-2H3,(H,13,14)(H2,12,15,16)/t9-/m1/s1
InChIKeyITDLWGKJZRWAJF-SECBINFHSA-N
MW262.37 g/mol
LogP0.61
Rot. Bonds4

About (1S)-2,2-dimethyl-N-(2-sulfamoylethyl)cyclohexane-1-carboxamide

(1S)-2,2-dimethyl-N-(2-sulfamoylethyl)cyclohexane-1-carboxamide (PubChem CID 164630921) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is (1S)-2,2-dimethyl-N-(2-sulfamoylethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name(1S)-2,2-dimethyl-N-(2-sulfamoylethyl)cyclohexane-1-carboxamide
PubChem CID164630921
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name(1S)-2,2-dimethyl-N-(2-sulfamoylethyl)cyclohexane-1-carboxamide
SMILESCC1(C)CCCC[C@@H]1C(=O)NCCS(N)(=O)=O
InChIInChI=1S/C11H22N2O3S/c1-11(2)6-4-3-5-9(11)10(14)13-7-8-17(12,15)16/h9H,3-8H2,1-2H3,(H,13,14)(H2,12,15,16)/t9-/m1/s1
InChIKeyITDLWGKJZRWAJF-SECBINFHSA-N
XLogP0.61
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-2,2-dimethyl-N-(2-sulfamoylethyl)cyclohexane-1-carboxamide?
The IUPAC name of (1S)-2,2-dimethyl-N-(2-sulfamoylethyl)cyclohexane-1-carboxamide (CID 164630921) is (1S)-2,2-dimethyl-N-(2-sulfamoylethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for (1S)-2,2-dimethyl-N-(2-sulfamoylethyl)cyclohexane-1-carboxamide?
The canonical SMILES for (1S)-2,2-dimethyl-N-(2-sulfamoylethyl)cyclohexane-1-carboxamide is CC1(C)CCCC[C@@H]1C(=O)NCCS(N)(=O)=O.
What is the InChIKey of (1S)-2,2-dimethyl-N-(2-sulfamoylethyl)cyclohexane-1-carboxamide?
The InChIKey is ITDLWGKJZRWAJF-SECBINFHSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-11(2)6-4-3-5-9(11)10(14)13-7-8-17(12,15)16/h9H,3-8H2,1-2H3,(H,13,14)(H2,12,15,16)/t9-/m1/s1.
What are the key properties of (1S)-2,2-dimethyl-N-(2-sulfamoylethyl)cyclohexane-1-carboxamide?
(1S)-2,2-dimethyl-N-(2-sulfamoylethyl)cyclohexane-1-carboxamide has a molecular weight of 262.37 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2-dimethyl-N-(2-sulfamoylethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 164630921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).