4-(cyclopropylamino)-N-(2-methylcyclopentyl)butane-1-sulfonamide

C13H26N2O2S — CID 106064397

IUPAC4-(cyclopropylamino)-N-(2-methylcyclopentyl)butane-1-sulfonamide
SMILESCC1CCCC1NS(=O)(=O)CCCCNC1CC1
InChIInChI=1S/C13H26N2O2S/c1-11-5-4-6-13(11)15-18(16,17)10-3-2-9-14-12-7-8-12/h11-15H,2-10H2,1H3
InChIKeyOIMJEASJMMHUCG-UHFFFAOYSA-N
MW274.43 g/mol
LogP1.63
Rot. Bonds8

About 4-(cyclopropylamino)-N-(2-methylcyclopentyl)butane-1-sulfonamide

4-(cyclopropylamino)-N-(2-methylcyclopentyl)butane-1-sulfonamide (PubChem CID 106064397) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 4-(cyclopropylamino)-N-(2-methylcyclopentyl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-(cyclopropylamino)-N-(2-methylcyclopentyl)butane-1-sulfonamide
PubChem CID106064397
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC Name4-(cyclopropylamino)-N-(2-methylcyclopentyl)butane-1-sulfonamide
SMILESCC1CCCC1NS(=O)(=O)CCCCNC1CC1
InChIInChI=1S/C13H26N2O2S/c1-11-5-4-6-13(11)15-18(16,17)10-3-2-9-14-12-7-8-12/h11-15H,2-10H2,1H3
InChIKeyOIMJEASJMMHUCG-UHFFFAOYSA-N
XLogP1.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 51.63
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-(2,3-dimethylcyclohexyl)butane-1-sulfonamide
CID 106060306
N-(2-methylcyclopentyl)-4-(propylamino)butane-1-sulfonamide
CID 106064340
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
2-amino-N-(2-methylcyclopentyl)ethanesulfonamide
CID 63281586
3-amino-N-(2,3-dimethylcyclohexyl)propane-1-sulfonamide
CID 60909960
3-(cyclopropylamino)-N-(3-methylsulfanylcyclohexyl)propane-1-sulfonamide
CID 106091366
4-(cyclopropylamino)-N-(2,2-dimethyloxan-4-yl)butane-1-sulfonamide
CID 106075175
4-(cyclopropylamino)-N-(3,3-dimethylbutyl)butane-1-sulfonamide
CID 114142377
2-methyl-N-(2-propylsulfonylethyl)cyclopentan-1-amine
CID 106723715
3-(cyclopropylamino)-N-pentan-3-ylpropane-1-sulfonamide
CID 106032168

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-N-(2-methylcyclopentyl)butane-1-sulfonamide?
The IUPAC name of 4-(cyclopropylamino)-N-(2-methylcyclopentyl)butane-1-sulfonamide (CID 106064397) is 4-(cyclopropylamino)-N-(2-methylcyclopentyl)butane-1-sulfonamide.
What is the SMILES notation for 4-(cyclopropylamino)-N-(2-methylcyclopentyl)butane-1-sulfonamide?
The canonical SMILES for 4-(cyclopropylamino)-N-(2-methylcyclopentyl)butane-1-sulfonamide is CC1CCCC1NS(=O)(=O)CCCCNC1CC1.
What is the InChIKey of 4-(cyclopropylamino)-N-(2-methylcyclopentyl)butane-1-sulfonamide?
The InChIKey is OIMJEASJMMHUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-11-5-4-6-13(11)15-18(16,17)10-3-2-9-14-12-7-8-12/h11-15H,2-10H2,1H3.
What are the key properties of 4-(cyclopropylamino)-N-(2-methylcyclopentyl)butane-1-sulfonamide?
4-(cyclopropylamino)-N-(2-methylcyclopentyl)butane-1-sulfonamide has a molecular weight of 274.43 g/mol, XLogP of 1.63, 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-methylcyclopentyl)butane-1-sulfonamide is sourced from PubChem (CID 106064397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).