N-(4-aminobutyl)cyclopentanesulfonamide

C9H20N2O2S — CID 105360505

IUPACN-(4-aminobutyl)cyclopentanesulfonamide
SMILESNCCCCNS(=O)(=O)C1CCCC1
InChIInChI=1S/C9H20N2O2S/c10-7-3-4-8-11-14(12,13)9-5-1-2-6-9/h9,11H,1-8,10H2
InChIKeyKCOFFRNZEIVIBJ-UHFFFAOYSA-N
MW220.34 g/mol
LogP0.59
Rot. Bonds6

About N-(4-aminobutyl)cyclopentanesulfonamide

N-(4-aminobutyl)cyclopentanesulfonamide (PubChem CID 105360505) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is N-(4-aminobutyl)cyclopentanesulfonamide.

Molecular Properties

Compound NameN-(4-aminobutyl)cyclopentanesulfonamide
PubChem CID105360505
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC NameN-(4-aminobutyl)cyclopentanesulfonamide
SMILESNCCCCNS(=O)(=O)C1CCCC1
InChIInChI=1S/C9H20N2O2S/c10-7-3-4-8-11-14(12,13)9-5-1-2-6-9/h9,11H,1-8,10H2
InChIKeyKCOFFRNZEIVIBJ-UHFFFAOYSA-N
XLogP0.59
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 50.59
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

N-(6-aminohexyl)cyclohexanesulfonamide
CID 114008140
N-(3-aminopropyl)cyclopentanesulfonamide
CID 115752131
N-(4-hydroxybutyl)cyclohexanesulfonamide
CID 106843941
N-(6-bromohexyl)cyclohexanesulfonamide
CID 107848725
N-[3-(cyclopropylamino)propyl]cyclopentanesulfonamide
CID 105361362
N-[3-(2-bromoethoxy)propyl]cyclohexanesulfonamide
CID 106304856
N-(3-aminobutyl)cyclopentanesulfonamide
CID 115752301
N-[3-(4-aminocyclohexyl)oxypropyl]cyclohexanesulfonamide
CID 63869838
N-(5-chloro-4-methylpentyl)cyclopentanesulfonamide
CID 106158932
3-(cyclohexylsulfonylamino)propanethioamide
CID 62667102
N-(4-aminobutyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63246284
N-(4-aminobutyl)-1-cyclopropylmethanesulfonamide;hydrochloride
CID 120583339

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutyl)cyclopentanesulfonamide?
The IUPAC name of N-(4-aminobutyl)cyclopentanesulfonamide (CID 105360505) is N-(4-aminobutyl)cyclopentanesulfonamide.
What is the SMILES notation for N-(4-aminobutyl)cyclopentanesulfonamide?
The canonical SMILES for N-(4-aminobutyl)cyclopentanesulfonamide is NCCCCNS(=O)(=O)C1CCCC1.
What is the InChIKey of N-(4-aminobutyl)cyclopentanesulfonamide?
The InChIKey is KCOFFRNZEIVIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c10-7-3-4-8-11-14(12,13)9-5-1-2-6-9/h9,11H,1-8,10H2.
What are the key properties of N-(4-aminobutyl)cyclopentanesulfonamide?
N-(4-aminobutyl)cyclopentanesulfonamide has a molecular weight of 220.34 g/mol, XLogP of 0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutyl)cyclopentanesulfonamide is sourced from PubChem (CID 105360505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).