N-(2-methylcyclohexyl)-3-(propan-2-ylamino)propane-1-sulfonamide

C13H28N2O2S — CID 54973998

IUPACN-(2-methylcyclohexyl)-3-(propan-2-ylamino)propane-1-sulfonamide
SMILESCC(C)NCCCS(=O)(=O)NC1CCCCC1C
InChIInChI=1S/C13H28N2O2S/c1-11(2)14-9-6-10-18(16,17)15-13-8-5-4-7-12(13)3/h11-15H,4-10H2,1-3H3
InChIKeyCTVKJZXCJPGIDV-UHFFFAOYSA-N
MW276.45 g/mol
LogP1.87
Rot. Bonds7

About N-(2-methylcyclohexyl)-3-(propan-2-ylamino)propane-1-sulfonamide

N-(2-methylcyclohexyl)-3-(propan-2-ylamino)propane-1-sulfonamide (PubChem CID 54973998) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-3-(propan-2-ylamino)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-3-(propan-2-ylamino)propane-1-sulfonamide
PubChem CID54973998
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC NameN-(2-methylcyclohexyl)-3-(propan-2-ylamino)propane-1-sulfonamide
SMILESCC(C)NCCCS(=O)(=O)NC1CCCCC1C
InChIInChI=1S/C13H28N2O2S/c1-11(2)14-9-6-10-18(16,17)15-13-8-5-4-7-12(13)3/h11-15H,4-10H2,1-3H3
InChIKeyCTVKJZXCJPGIDV-UHFFFAOYSA-N
XLogP1.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-methylcyclohexyl)-3-(propan-2-ylamino)propane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(methylamino)-N-(2-methylcyclopentyl)propane-1-sulfonamide
CID 106064308
N-(2-methyloxolan-3-yl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 82728846
4-(cyclopropylamino)-N-(2-methylcyclopentyl)butane-1-sulfonamide
CID 106064397
N-(2-methylcyclopentyl)-4-(propylamino)butane-1-sulfonamide
CID 106064340
N-(2-methylcyclohexyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 114132164
2-amino-N-(2-methylcyclopentyl)ethanesulfonamide
CID 63281586
3-(propan-2-ylamino)-N-(thiolan-3-yl)propane-1-sulfonamide
CID 103063616
N-(1,1-dioxothian-3-yl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 63923373
N-(oxan-4-yl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 114135293
3-amino-N-(2,3-dimethylcyclohexyl)propane-1-sulfonamide
CID 60909960
N-[2-[cyclopropyl(methyl)amino]ethyl]-3-(propan-2-ylamino)propane-1-sulfonamide
CID 55142009
4-(cyclopropylamino)-N-(2,3-dimethylcyclohexyl)butane-1-sulfonamide
CID 106060306

Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)-3-(propan-2-ylamino)propane-1-sulfonamide?
The IUPAC name of N-(2-methylcyclohexyl)-3-(propan-2-ylamino)propane-1-sulfonamide (CID 54973998) is N-(2-methylcyclohexyl)-3-(propan-2-ylamino)propane-1-sulfonamide.
What is the SMILES notation for N-(2-methylcyclohexyl)-3-(propan-2-ylamino)propane-1-sulfonamide?
The canonical SMILES for N-(2-methylcyclohexyl)-3-(propan-2-ylamino)propane-1-sulfonamide is CC(C)NCCCS(=O)(=O)NC1CCCCC1C.
What is the InChIKey of N-(2-methylcyclohexyl)-3-(propan-2-ylamino)propane-1-sulfonamide?
The InChIKey is CTVKJZXCJPGIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-11(2)14-9-6-10-18(16,17)15-13-8-5-4-7-12(13)3/h11-15H,4-10H2,1-3H3.
What are the key properties of N-(2-methylcyclohexyl)-3-(propan-2-ylamino)propane-1-sulfonamide?
N-(2-methylcyclohexyl)-3-(propan-2-ylamino)propane-1-sulfonamide has a molecular weight of 276.45 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)-3-(propan-2-ylamino)propane-1-sulfonamide is sourced from PubChem (CID 54973998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).