1-(4-aminophenyl)-N-[2-(hydroxymethyl)cyclopentyl]methanesulfonamide

C13H20N2O3S — CID 106358787

IUPAC1-(4-aminophenyl)-N-[2-(hydroxymethyl)cyclopentyl]methanesulfonamide
SMILESNc1ccc(CS(=O)(=O)NC2CCCC2CO)cc1
InChIInChI=1S/C13H20N2O3S/c14-12-6-4-10(5-7-12)9-19(17,18)15-13-3-1-2-11(13)8-16/h4-7,11,13,15-16H,1-3,8-9,14H2
InChIKeyBQGNFLJKVIBGIL-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.85
Rot. Bonds5

About 1-(4-aminophenyl)-N-[2-(hydroxymethyl)cyclopentyl]methanesulfonamide

1-(4-aminophenyl)-N-[2-(hydroxymethyl)cyclopentyl]methanesulfonamide (PubChem CID 106358787) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N-[2-(hydroxymethyl)cyclopentyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-N-[2-(hydroxymethyl)cyclopentyl]methanesulfonamide
PubChem CID106358787
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name1-(4-aminophenyl)-N-[2-(hydroxymethyl)cyclopentyl]methanesulfonamide
SMILESNc1ccc(CS(=O)(=O)NC2CCCC2CO)cc1
InChIInChI=1S/C13H20N2O3S/c14-12-6-4-10(5-7-12)9-19(17,18)15-13-3-1-2-11(13)8-16/h4-7,11,13,15-16H,1-3,8-9,14H2
InChIKeyBQGNFLJKVIBGIL-UHFFFAOYSA-N
XLogP0.85
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[2-(hydroxymethyl)cyclohexyl]-2-methylbenzenesulfonamide
CID 106358885
1-(4-aminophenyl)-N-(2,3-dimethylcyclopentyl)methanesulfonamide
CID 64909059
N-[2-(aminomethyl)cyclohexyl]-1-(4-fluorophenyl)methanesulfonamide;hydrochloride
CID 119986199
4-amino-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 113266858
4-ethyl-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 103835956
4-amino-2-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]benzoic acid
CID 106358785
N-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]ethanesulfonamide
CID 86708972
1-[4-(hydroxymethyl)phenyl]-N-(2-methylsulfanylcyclopentyl)methanesulfonamide
CID 106001484
N-[2-(aminomethyl)cyclopentyl]-1-(3,4-dichlorophenyl)methanesulfonamide;hydrochloride
CID 119985751
1-cyclohexyl-N-[2-(hydroxymethyl)cyclopentyl]methanesulfonamide
CID 103697794
N-[2-(hydroxymethyl)cyclopentyl]methanesulfonamide
CID 103697796
2-(4-aminophenyl)-N-[[2-(methanesulfonamido)cyclopentyl]methyl]acetamide;hydrochloride
CID 119821585

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-N-[2-(hydroxymethyl)cyclopentyl]methanesulfonamide?
The IUPAC name of 1-(4-aminophenyl)-N-[2-(hydroxymethyl)cyclopentyl]methanesulfonamide (CID 106358787) is 1-(4-aminophenyl)-N-[2-(hydroxymethyl)cyclopentyl]methanesulfonamide.
What is the SMILES notation for 1-(4-aminophenyl)-N-[2-(hydroxymethyl)cyclopentyl]methanesulfonamide?
The canonical SMILES for 1-(4-aminophenyl)-N-[2-(hydroxymethyl)cyclopentyl]methanesulfonamide is Nc1ccc(CS(=O)(=O)NC2CCCC2CO)cc1.
What is the InChIKey of 1-(4-aminophenyl)-N-[2-(hydroxymethyl)cyclopentyl]methanesulfonamide?
The InChIKey is BQGNFLJKVIBGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c14-12-6-4-10(5-7-12)9-19(17,18)15-13-3-1-2-11(13)8-16/h4-7,11,13,15-16H,1-3,8-9,14H2.
What are the key properties of 1-(4-aminophenyl)-N-[2-(hydroxymethyl)cyclopentyl]methanesulfonamide?
1-(4-aminophenyl)-N-[2-(hydroxymethyl)cyclopentyl]methanesulfonamide has a molecular weight of 284.38 g/mol, XLogP of 0.85, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-N-[2-(hydroxymethyl)cyclopentyl]methanesulfonamide is sourced from PubChem (CID 106358787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).