1-(4-aminophenyl)-N-cyclopentyl-N-(2-hydroxyethyl)methanesulfonamide

C14H22N2O3S — CID 61138289

IUPAC1-(4-aminophenyl)-N-cyclopentyl-N-(2-hydroxyethyl)methanesulfonamide
SMILESNc1ccc(CS(=O)(=O)N(CCO)C2CCCC2)cc1
InChIInChI=1S/C14H22N2O3S/c15-13-7-5-12(6-8-13)11-20(18,19)16(9-10-17)14-3-1-2-4-14/h5-8,14,17H,1-4,9-11,15H2
InChIKeyFXFXMQNQVNXKDJ-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.34
Rot. Bonds6

About 1-(4-aminophenyl)-N-cyclopentyl-N-(2-hydroxyethyl)methanesulfonamide

1-(4-aminophenyl)-N-cyclopentyl-N-(2-hydroxyethyl)methanesulfonamide (PubChem CID 61138289) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N-cyclopentyl-N-(2-hydroxyethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-N-cyclopentyl-N-(2-hydroxyethyl)methanesulfonamide
PubChem CID61138289
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name1-(4-aminophenyl)-N-cyclopentyl-N-(2-hydroxyethyl)methanesulfonamide
SMILESNc1ccc(CS(=O)(=O)N(CCO)C2CCCC2)cc1
InChIInChI=1S/C14H22N2O3S/c15-13-7-5-12(6-8-13)11-20(18,19)16(9-10-17)14-3-1-2-4-14/h5-8,14,17H,1-4,9-11,15H2
InChIKeyFXFXMQNQVNXKDJ-UHFFFAOYSA-N
XLogP1.34
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.34
H-Bond Donors ≤ 52
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

N-cyclobutyl-N-(2-hydroxyethyl)-1-(4-nitrophenyl)methanesulfonamide
CID 102675871
N-cyclobutyl-N-(3-hydroxypropyl)-1-phenylmethanesulfonamide
CID 102847511
methyl 4-[[cyclopropyl(2-hydroxyethyl)sulfamoyl]methyl]benzoate
CID 43577601
N-(3-aminopropyl)-N-cyclopentyl-1-phenylmethanesulfonamide
CID 43319471
1-(4-aminophenyl)-N-(2-hydroxycyclohexyl)-N-methylmethanesulfonamide
CID 102631235
N-(2-bromoethyl)-N-cyclohexyl-1-phenylmethanesulfonamide
CID 80669300
5-amino-N-cyclopentyl-2-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 61138671
2-amino-N-cyclobutyl-N-(2-hydroxyethyl)ethanesulfonamide
CID 102861399
1-(4-aminophenyl)-N-butyl-N-(2-hydroxyethyl)methanesulfonamide
CID 61111090
1-(4-aminophenyl)-N-cyclopropyl-N-(furan-2-ylmethyl)methanesulfonamide
CID 61111599
N-cyclobutyl-N-(2-hydroxyethyl)-2,2-dimethylpropane-1-sulfonamide
CID 102867644
N-cyclobutyl-N-(2-hydroxyethyl)-2-methylpropane-1-sulfonamide
CID 102675688

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-N-cyclopentyl-N-(2-hydroxyethyl)methanesulfonamide?
The IUPAC name of 1-(4-aminophenyl)-N-cyclopentyl-N-(2-hydroxyethyl)methanesulfonamide (CID 61138289) is 1-(4-aminophenyl)-N-cyclopentyl-N-(2-hydroxyethyl)methanesulfonamide.
What is the SMILES notation for 1-(4-aminophenyl)-N-cyclopentyl-N-(2-hydroxyethyl)methanesulfonamide?
The canonical SMILES for 1-(4-aminophenyl)-N-cyclopentyl-N-(2-hydroxyethyl)methanesulfonamide is Nc1ccc(CS(=O)(=O)N(CCO)C2CCCC2)cc1.
What is the InChIKey of 1-(4-aminophenyl)-N-cyclopentyl-N-(2-hydroxyethyl)methanesulfonamide?
The InChIKey is FXFXMQNQVNXKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c15-13-7-5-12(6-8-13)11-20(18,19)16(9-10-17)14-3-1-2-4-14/h5-8,14,17H,1-4,9-11,15H2.
What are the key properties of 1-(4-aminophenyl)-N-cyclopentyl-N-(2-hydroxyethyl)methanesulfonamide?
1-(4-aminophenyl)-N-cyclopentyl-N-(2-hydroxyethyl)methanesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-N-cyclopentyl-N-(2-hydroxyethyl)methanesulfonamide is sourced from PubChem (CID 61138289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).