5-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzenesulfonamide

C15H24N2O3S — CID 62526556

IUPAC5-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzenesulfonamide
SMILESCc1ccc(N)cc1S(=O)(=O)NC1(CO)CCC(C)CC1
InChIInChI=1S/C15H24N2O3S/c1-11-5-7-15(10-18,8-6-11)17-21(19,20)14-9-13(16)4-3-12(14)2/h3-4,9,11,17-18H,5-8,10,16H2,1-2H3
InChIKeyGEJAOGUBBGVWLE-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.80
Rot. Bonds4

About 5-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzenesulfonamide

5-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzenesulfonamide (PubChem CID 62526556) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 5-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzenesulfonamide
PubChem CID62526556
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name5-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzenesulfonamide
SMILESCc1ccc(N)cc1S(=O)(=O)NC1(CO)CCC(C)CC1
InChIInChI=1S/C15H24N2O3S/c1-11-5-7-15(10-18,8-6-11)17-21(19,20)14-9-13(16)4-3-12(14)2/h3-4,9,11,17-18H,5-8,10,16H2,1-2H3
InChIKeyGEJAOGUBBGVWLE-UHFFFAOYSA-N
XLogP1.80
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.80
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

2-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-5-methylbenzenesulfonamide
CID 62525307
N-[1-(hydroxymethyl)cyclopropyl]-2,5-dimethylbenzenesulfonamide
CID 115902945
3-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-4-methylbenzenesulfonamide
CID 62525308
5-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzamide
CID 62527243
5-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-1H-pyrazole-4-sulfonamide
CID 62526726
4-amino-2-bromo-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide
CID 62525701
4-amino-2-[[1-(hydroxymethyl)cyclopropyl]sulfamoyl]benzoic acid
CID 102931714
4-bromo-2-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzenesulfonamide
CID 62526692
5-cyano-N-[1-(hydroxymethyl)cyclopropyl]-2-methylbenzenesulfonamide
CID 115902839
N-[1-(hydroxymethyl)cyclopropyl]-2-methylbenzenesulfonamide
CID 115902909
3-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzenesulfonamide
CID 62525829
5-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylbenzenesulfonamide
CID 106099334

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzenesulfonamide?
The IUPAC name of 5-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzenesulfonamide (CID 62526556) is 5-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzenesulfonamide is Cc1ccc(N)cc1S(=O)(=O)NC1(CO)CCC(C)CC1.
What is the InChIKey of 5-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzenesulfonamide?
The InChIKey is GEJAOGUBBGVWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-11-5-7-15(10-18,8-6-11)17-21(19,20)14-9-13(16)4-3-12(14)2/h3-4,9,11,17-18H,5-8,10,16H2,1-2H3.
What are the key properties of 5-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzenesulfonamide?
5-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.80, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 62526556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).