3-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-methylbenzenesulfonamide

C15H24N2O3S — CID 62527798

IUPAC3-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-methylbenzenesulfonamide
SMILESCc1c(N)cccc1S(=O)(=O)NC1(CO)CCCC(C)C1
InChIInChI=1S/C15H24N2O3S/c1-11-5-4-8-15(9-11,10-18)17-21(19,20)14-7-3-6-13(16)12(14)2/h3,6-7,11,17-18H,4-5,8-10,16H2,1-2H3
InChIKeyVNDRTMVOONWESF-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.80
Rot. Bonds4

About 3-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-methylbenzenesulfonamide

3-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-methylbenzenesulfonamide (PubChem CID 62527798) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 3-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-methylbenzenesulfonamide
PubChem CID62527798
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name3-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-methylbenzenesulfonamide
SMILESCc1c(N)cccc1S(=O)(=O)NC1(CO)CCCC(C)C1
InChIInChI=1S/C15H24N2O3S/c1-11-5-4-8-15(9-11,10-18)17-21(19,20)14-7-3-6-13(16)12(14)2/h3,6-7,11,17-18H,4-5,8-10,16H2,1-2H3
InChIKeyVNDRTMVOONWESF-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-cyano-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide
CID 62527401
4-amino-2-bromo-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide
CID 62525701
4-amino-3-fluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide
CID 82845931
3-amino-4-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide
CID 62525698
3-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide
CID 62527752
4-bromo-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide
CID 62527403
2-chloro-4-fluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide
CID 62525664
[1-(2-amino-6-chloroanilino)-3-methylcyclohexyl]methanol
CID 62551812
3-amino-N-[1-(hydroxymethyl)cyclopentyl]-2,5-dimethylbenzenesulfonamide
CID 79889496
3-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-methylbenzenesulfonamide
CID 115454078
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-methylpropane-2-sulfonamide
CID 55231623
N-[1-(hydroxymethyl)-3-methylcyclohexyl]cyclopropanesulfonamide
CID 64552221

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-methylbenzenesulfonamide?
The IUPAC name of 3-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-methylbenzenesulfonamide (CID 62527798) is 3-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-methylbenzenesulfonamide is Cc1c(N)cccc1S(=O)(=O)NC1(CO)CCCC(C)C1.
What is the InChIKey of 3-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-methylbenzenesulfonamide?
The InChIKey is VNDRTMVOONWESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-11-5-4-8-15(9-11,10-18)17-21(19,20)14-7-3-6-13(16)12(14)2/h3,6-7,11,17-18H,4-5,8-10,16H2,1-2H3.
What are the key properties of 3-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-methylbenzenesulfonamide?
3-amino-N-[1-(hydroxymethyl)-3-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 3-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 62527798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).