3-amino-N-(2,3-dimethylcyclohexyl)propane-1-sulfonamide

C11H24N2O2S — CID 60909960

IUPAC3-amino-N-(2,3-dimethylcyclohexyl)propane-1-sulfonamide
SMILESCC1CCCC(NS(=O)(=O)CCCN)C1C
InChIInChI=1S/C11H24N2O2S/c1-9-5-3-6-11(10(9)2)13-16(14,15)8-4-7-12/h9-11,13H,3-8,12H2,1-2H3
InChIKeyLWOQJIKAZSGALJ-UHFFFAOYSA-N
MW248.39 g/mol
LogP1.08
Rot. Bonds5

About 3-amino-N-(2,3-dimethylcyclohexyl)propane-1-sulfonamide

3-amino-N-(2,3-dimethylcyclohexyl)propane-1-sulfonamide (PubChem CID 60909960) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 3-amino-N-(2,3-dimethylcyclohexyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(2,3-dimethylcyclohexyl)propane-1-sulfonamide
PubChem CID60909960
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name3-amino-N-(2,3-dimethylcyclohexyl)propane-1-sulfonamide
SMILESCC1CCCC(NS(=O)(=O)CCCN)C1C
InChIInChI=1S/C11H24N2O2S/c1-9-5-3-6-11(10(9)2)13-16(14,15)8-4-7-12/h9-11,13H,3-8,12H2,1-2H3
InChIKeyLWOQJIKAZSGALJ-UHFFFAOYSA-N
XLogP1.08
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2-methylcyclopentyl)ethanesulfonamide
CID 63281586
4-(cyclopropylamino)-N-(2,3-dimethylcyclohexyl)butane-1-sulfonamide
CID 106060306
N-(2,3-dimethylcyclohexyl)-2-(ethylamino)ethanesulfonamide
CID 54973707
3-(methylamino)-N-(2-methylcyclopentyl)propane-1-sulfonamide
CID 106064308
N-(2,3-dimethylcyclopentyl)propane-1-sulfonamide
CID 64923274
4-amino-N-(2-methoxycyclopentyl)butane-1-sulfonamide
CID 62087494
3-amino-N-(1,3-dimethylpiperidin-4-yl)propane-1-sulfonamide
CID 114503363
(2S)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-methylbutane-1-sulfonamide
CID 124727118
2-chloro-N-(2,3-dimethylcyclopentyl)ethanesulfonamide
CID 107652077
4-(cyclopropylamino)-N-(2-methylcyclopentyl)butane-1-sulfonamide
CID 106064397
N-(2-methylcyclopentyl)-4-(propylamino)butane-1-sulfonamide
CID 106064340
N-(2-methylcyclohexyl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 54973998

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,3-dimethylcyclohexyl)propane-1-sulfonamide?
The IUPAC name of 3-amino-N-(2,3-dimethylcyclohexyl)propane-1-sulfonamide (CID 60909960) is 3-amino-N-(2,3-dimethylcyclohexyl)propane-1-sulfonamide.
What is the SMILES notation for 3-amino-N-(2,3-dimethylcyclohexyl)propane-1-sulfonamide?
The canonical SMILES for 3-amino-N-(2,3-dimethylcyclohexyl)propane-1-sulfonamide is CC1CCCC(NS(=O)(=O)CCCN)C1C.
What is the InChIKey of 3-amino-N-(2,3-dimethylcyclohexyl)propane-1-sulfonamide?
The InChIKey is LWOQJIKAZSGALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-9-5-3-6-11(10(9)2)13-16(14,15)8-4-7-12/h9-11,13H,3-8,12H2,1-2H3.
What are the key properties of 3-amino-N-(2,3-dimethylcyclohexyl)propane-1-sulfonamide?
3-amino-N-(2,3-dimethylcyclohexyl)propane-1-sulfonamide has a molecular weight of 248.39 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,3-dimethylcyclohexyl)propane-1-sulfonamide is sourced from PubChem (CID 60909960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).