3-amino-N-[1-(hydroxymethyl)cyclopentyl]-2,5-dimethylbenzenesulfonamide

C14H22N2O3S — CID 79889496

IUPAC3-amino-N-[1-(hydroxymethyl)cyclopentyl]-2,5-dimethylbenzenesulfonamide
SMILESCc1cc(N)c(C)c(S(=O)(=O)NC2(CO)CCCC2)c1
InChIInChI=1S/C14H22N2O3S/c1-10-7-12(15)11(2)13(8-10)20(18,19)16-14(9-17)5-3-4-6-14/h7-8,16-17H,3-6,9,15H2,1-2H3
InChIKeyNSTAWGVKTCCJEX-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.47
Rot. Bonds4

About 3-amino-N-[1-(hydroxymethyl)cyclopentyl]-2,5-dimethylbenzenesulfonamide

3-amino-N-[1-(hydroxymethyl)cyclopentyl]-2,5-dimethylbenzenesulfonamide (PubChem CID 79889496) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 3-amino-N-[1-(hydroxymethyl)cyclopentyl]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-[1-(hydroxymethyl)cyclopentyl]-2,5-dimethylbenzenesulfonamide
PubChem CID79889496
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name3-amino-N-[1-(hydroxymethyl)cyclopentyl]-2,5-dimethylbenzenesulfonamide
SMILESCc1cc(N)c(C)c(S(=O)(=O)NC2(CO)CCCC2)c1
InChIInChI=1S/C14H22N2O3S/c1-10-7-12(15)11(2)13(8-10)20(18,19)16-14(9-17)5-3-4-6-14/h7-8,16-17H,3-6,9,15H2,1-2H3
InChIKeyNSTAWGVKTCCJEX-UHFFFAOYSA-N
XLogP1.47
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[1-(hydroxymethyl)cyclopropyl]-2,5-dimethylbenzenesulfonamide
CID 115902945
3-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-methylbenzenesulfonamide
CID 62527798
N-[1-(hydroxymethyl)cyclopropyl]-2,4-dimethylbenzenesulfonamide
CID 113351337
3-amino-N-cyclobutyl-2,5-dimethylbenzenesulfonamide
CID 79889241
5-amino-2-fluoro-N-[4-(hydroxymethyl)oxan-4-yl]-4-methylbenzenesulfonamide
CID 106296774
3-amino-N-[4-(hydroxymethyl)oxan-4-yl]-4,5-dimethylbenzenesulfonamide
CID 106296708
2-amino-N-[1-(hydroxymethyl)cyclobutyl]-3,6-dimethylbenzenesulfonamide
CID 103171830
3-amino-2,5-diethyl-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide
CID 107407018
3-amino-4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide
CID 62527592
3-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,5-dimethylbenzenesulfonamide
CID 106181480
3-amino-N-[(2S)-2-hydroxypropyl]-2,5-dimethylbenzenesulfonamide
CID 107213362
2-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 21078665

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(hydroxymethyl)cyclopentyl]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of 3-amino-N-[1-(hydroxymethyl)cyclopentyl]-2,5-dimethylbenzenesulfonamide (CID 79889496) is 3-amino-N-[1-(hydroxymethyl)cyclopentyl]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-[1-(hydroxymethyl)cyclopentyl]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-[1-(hydroxymethyl)cyclopentyl]-2,5-dimethylbenzenesulfonamide is Cc1cc(N)c(C)c(S(=O)(=O)NC2(CO)CCCC2)c1.
What is the InChIKey of 3-amino-N-[1-(hydroxymethyl)cyclopentyl]-2,5-dimethylbenzenesulfonamide?
The InChIKey is NSTAWGVKTCCJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-10-7-12(15)11(2)13(8-10)20(18,19)16-14(9-17)5-3-4-6-14/h7-8,16-17H,3-6,9,15H2,1-2H3.
What are the key properties of 3-amino-N-[1-(hydroxymethyl)cyclopentyl]-2,5-dimethylbenzenesulfonamide?
3-amino-N-[1-(hydroxymethyl)cyclopentyl]-2,5-dimethylbenzenesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.47, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(hydroxymethyl)cyclopentyl]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 79889496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).