4-(cyclopropylamino)-N-(2,3-dimethylcyclohexyl)butane-1-sulfonamide

C15H30N2O2S — CID 106060306

IUPAC4-(cyclopropylamino)-N-(2,3-dimethylcyclohexyl)butane-1-sulfonamide
SMILESCC1CCCC(NS(=O)(=O)CCCCNC2CC2)C1C
InChIInChI=1S/C15H30N2O2S/c1-12-6-5-7-15(13(12)2)17-20(18,19)11-4-3-10-16-14-8-9-14/h12-17H,3-11H2,1-2H3
InChIKeyLPMGBKAPQJWDCN-UHFFFAOYSA-N
MW302.48 g/mol
LogP2.26
Rot. Bonds8

About 4-(cyclopropylamino)-N-(2,3-dimethylcyclohexyl)butane-1-sulfonamide

4-(cyclopropylamino)-N-(2,3-dimethylcyclohexyl)butane-1-sulfonamide (PubChem CID 106060306) has the molecular formula C15H30N2O2S and a molecular weight of 302.48 g/mol. Its IUPAC name is 4-(cyclopropylamino)-N-(2,3-dimethylcyclohexyl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-(cyclopropylamino)-N-(2,3-dimethylcyclohexyl)butane-1-sulfonamide
PubChem CID106060306
Molecular FormulaC15H30N2O2S
Molecular Weight302.48 g/mol
Exact Mass302.20
IUPAC Name4-(cyclopropylamino)-N-(2,3-dimethylcyclohexyl)butane-1-sulfonamide
SMILESCC1CCCC(NS(=O)(=O)CCCCNC2CC2)C1C
InChIInChI=1S/C15H30N2O2S/c1-12-6-5-7-15(13(12)2)17-20(18,19)11-4-3-10-16-14-8-9-14/h12-17H,3-11H2,1-2H3
InChIKeyLPMGBKAPQJWDCN-UHFFFAOYSA-N
XLogP2.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.48
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(cyclopropylamino)-N-(2-methylcyclopentyl)butane-1-sulfonamide
CID 106064397
3-amino-N-(2,3-dimethylcyclohexyl)propane-1-sulfonamide
CID 60909960
N-(2,3-dimethylcyclohexyl)-2-(ethylamino)ethanesulfonamide
CID 54973707
N-(2-methylcyclopentyl)-4-(propylamino)butane-1-sulfonamide
CID 106064340
N-(2,3-dimethylcyclopentyl)propane-1-sulfonamide
CID 64923274
3-(methylamino)-N-(2-methylcyclopentyl)propane-1-sulfonamide
CID 106064308
3-(cyclopropylamino)-N-(1,3-dimethylpiperidin-4-yl)propane-1-sulfonamide
CID 106083082
N-(2-methylcyclohexyl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 54973998
(2S)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-methylbutane-1-sulfonamide
CID 124727118
2-amino-N-(2-methylcyclopentyl)ethanesulfonamide
CID 63281586
2-chloro-N-(2,3-dimethylcyclopentyl)ethanesulfonamide
CID 107652077
3-(cyclopropylamino)-N-(3-methylsulfanylcyclohexyl)propane-1-sulfonamide
CID 106091366

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-N-(2,3-dimethylcyclohexyl)butane-1-sulfonamide?
The IUPAC name of 4-(cyclopropylamino)-N-(2,3-dimethylcyclohexyl)butane-1-sulfonamide (CID 106060306) is 4-(cyclopropylamino)-N-(2,3-dimethylcyclohexyl)butane-1-sulfonamide.
What is the SMILES notation for 4-(cyclopropylamino)-N-(2,3-dimethylcyclohexyl)butane-1-sulfonamide?
The canonical SMILES for 4-(cyclopropylamino)-N-(2,3-dimethylcyclohexyl)butane-1-sulfonamide is CC1CCCC(NS(=O)(=O)CCCCNC2CC2)C1C.
What is the InChIKey of 4-(cyclopropylamino)-N-(2,3-dimethylcyclohexyl)butane-1-sulfonamide?
The InChIKey is LPMGBKAPQJWDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2S/c1-12-6-5-7-15(13(12)2)17-20(18,19)11-4-3-10-16-14-8-9-14/h12-17H,3-11H2,1-2H3.
What are the key properties of 4-(cyclopropylamino)-N-(2,3-dimethylcyclohexyl)butane-1-sulfonamide?
4-(cyclopropylamino)-N-(2,3-dimethylcyclohexyl)butane-1-sulfonamide has a molecular weight of 302.48 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-N-(2,3-dimethylcyclohexyl)butane-1-sulfonamide is sourced from PubChem (CID 106060306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).