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

C13H28N2O2S — CID 106064340

IUPACN-(2-methylcyclopentyl)-4-(propylamino)butane-1-sulfonamide
SMILESCCCNCCCCS(=O)(=O)NC1CCCC1C
InChIInChI=1S/C13H28N2O2S/c1-3-9-14-10-4-5-11-18(16,17)15-13-8-6-7-12(13)2/h12-15H,3-11H2,1-2H3
InChIKeyWGEPCJKECXYPCO-UHFFFAOYSA-N
MW276.45 g/mol
LogP1.87
Rot. Bonds9

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

N-(2-methylcyclopentyl)-4-(propylamino)butane-1-sulfonamide (PubChem CID 106064340) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is N-(2-methylcyclopentyl)-4-(propylamino)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-methylcyclopentyl)-4-(propylamino)butane-1-sulfonamide
PubChem CID106064340
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC NameN-(2-methylcyclopentyl)-4-(propylamino)butane-1-sulfonamide
SMILESCCCNCCCCS(=O)(=O)NC1CCCC1C
InChIInChI=1S/C13H28N2O2S/c1-3-9-14-10-4-5-11-18(16,17)15-13-8-6-7-12(13)2/h12-15H,3-11H2,1-2H3
InChIKeyWGEPCJKECXYPCO-UHFFFAOYSA-N
XLogP1.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
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'}

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Related Compounds

4-(cyclopropylamino)-N-(2-methylcyclopentyl)butane-1-sulfonamide
CID 106064397
3-(methylamino)-N-(2-methylcyclopentyl)propane-1-sulfonamide
CID 106064308
N-(2-methylsulfanylcyclohexyl)-3-(propylamino)propane-1-sulfonamide
CID 106091395
N-(2-methylcyclohexyl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 54973998
2-amino-N-(2-methylcyclopentyl)ethanesulfonamide
CID 63281586
4-(cyclopropylamino)-N-(2,3-dimethylcyclohexyl)butane-1-sulfonamide
CID 106060306
N-(oxan-3-yl)-4-(propylamino)butane-1-sulfonamide
CID 106065335
N-(2,3-dimethylcyclohexyl)-2-(ethylamino)ethanesulfonamide
CID 54973707
N-(1,1-dioxothian-3-yl)-4-(propylamino)butane-1-sulfonamide
CID 106065955
N-(cyclohexylmethyl)-4-(propylamino)butane-1-sulfonamide
CID 106028001
3-amino-N-(2,3-dimethylcyclohexyl)propane-1-sulfonamide
CID 60909960
N-(3-methoxycyclopentyl)-4-(propylamino)butane-1-sulfonamide
CID 106093077

Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclopentyl)-4-(propylamino)butane-1-sulfonamide?
The IUPAC name of N-(2-methylcyclopentyl)-4-(propylamino)butane-1-sulfonamide (CID 106064340) is N-(2-methylcyclopentyl)-4-(propylamino)butane-1-sulfonamide.
What is the SMILES notation for N-(2-methylcyclopentyl)-4-(propylamino)butane-1-sulfonamide?
The canonical SMILES for N-(2-methylcyclopentyl)-4-(propylamino)butane-1-sulfonamide is CCCNCCCCS(=O)(=O)NC1CCCC1C.
What is the InChIKey of N-(2-methylcyclopentyl)-4-(propylamino)butane-1-sulfonamide?
The InChIKey is WGEPCJKECXYPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-3-9-14-10-4-5-11-18(16,17)15-13-8-6-7-12(13)2/h12-15H,3-11H2,1-2H3.
What are the key properties of N-(2-methylcyclopentyl)-4-(propylamino)butane-1-sulfonamide?
N-(2-methylcyclopentyl)-4-(propylamino)butane-1-sulfonamide has a molecular weight of 276.45 g/mol, XLogP of 1.87, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclopentyl)-4-(propylamino)butane-1-sulfonamide is sourced from PubChem (CID 106064340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).