N-[(3-aminocyclopentyl)methyl]-2-phenylethanesulfonamide

C14H22N2O2S — CID 106125625

IUPACN-[(3-aminocyclopentyl)methyl]-2-phenylethanesulfonamide
SMILESNC1CCC(CNS(=O)(=O)CCc2ccccc2)C1
InChIInChI=1S/C14H22N2O2S/c15-14-7-6-13(10-14)11-16-19(17,18)9-8-12-4-2-1-3-5-12/h1-5,13-14,16H,6-11,15H2
InChIKeyLFOHPUWWSJSBKF-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.28
Rot. Bonds6

About N-[(3-aminocyclopentyl)methyl]-2-phenylethanesulfonamide

N-[(3-aminocyclopentyl)methyl]-2-phenylethanesulfonamide (PubChem CID 106125625) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-[(3-aminocyclopentyl)methyl]-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-[(3-aminocyclopentyl)methyl]-2-phenylethanesulfonamide
PubChem CID106125625
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-[(3-aminocyclopentyl)methyl]-2-phenylethanesulfonamide
SMILESNC1CCC(CNS(=O)(=O)CCc2ccccc2)C1
InChIInChI=1S/C14H22N2O2S/c15-14-7-6-13(10-14)11-16-19(17,18)9-8-12-4-2-1-3-5-12/h1-5,13-14,16H,6-11,15H2
InChIKeyLFOHPUWWSJSBKF-UHFFFAOYSA-N
XLogP1.28
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorocyclohexyl)methyl]-2-phenylethanesulfonamide
CID 106136203
N-[(3-aminocyclopentyl)methyl]-2-methylsulfonylethanesulfonamide
CID 114146780
2-phenyl-N-(pyrrolidin-2-ylmethyl)ethanesulfonamide;hydrochloride
CID 119974202
N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-2-phenylethanesulfonamide
CID 121109573
N-[(3-aminocyclopentyl)methyl]-3-methylbutane-1-sulfonamide
CID 106125438
N-[[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]methyl]-2-phenylethanesulfonamide
CID 97217880
N-[(4-methylpiperidin-3-yl)methyl]-2-phenylethanesulfonamide
CID 114955845
N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-2-phenylethanesulfonamide
CID 71786761
N-[[1-(3,4-dimethylphenyl)pyrrolidin-3-yl]methyl]-2-phenylethanesulfonamide
CID 110640741
N-[(1-acetylpiperidin-4-yl)methyl]-3-phenylpropane-1-sulfonamide
CID 110736247
N-[(4-methylmorpholin-2-yl)methyl]-2-phenylethanesulfonamide
CID 110710282
3-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]propane-1-sulfonamide
CID 110413703

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclopentyl)methyl]-2-phenylethanesulfonamide?
The IUPAC name of N-[(3-aminocyclopentyl)methyl]-2-phenylethanesulfonamide (CID 106125625) is N-[(3-aminocyclopentyl)methyl]-2-phenylethanesulfonamide.
What is the SMILES notation for N-[(3-aminocyclopentyl)methyl]-2-phenylethanesulfonamide?
The canonical SMILES for N-[(3-aminocyclopentyl)methyl]-2-phenylethanesulfonamide is NC1CCC(CNS(=O)(=O)CCc2ccccc2)C1.
What is the InChIKey of N-[(3-aminocyclopentyl)methyl]-2-phenylethanesulfonamide?
The InChIKey is LFOHPUWWSJSBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c15-14-7-6-13(10-14)11-16-19(17,18)9-8-12-4-2-1-3-5-12/h1-5,13-14,16H,6-11,15H2.
What are the key properties of N-[(3-aminocyclopentyl)methyl]-2-phenylethanesulfonamide?
N-[(3-aminocyclopentyl)methyl]-2-phenylethanesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclopentyl)methyl]-2-phenylethanesulfonamide is sourced from PubChem (CID 106125625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).