4-[(2-amino-4-methylsulfonylanilino)methyl]cyclohexan-1-ol

C14H22N2O3S — CID 106120085

IUPAC4-[(2-amino-4-methylsulfonylanilino)methyl]cyclohexan-1-ol
SMILESCS(=O)(=O)c1ccc(NCC2CCC(O)CC2)c(N)c1
InChIInChI=1S/C14H22N2O3S/c1-20(18,19)12-6-7-14(13(15)8-12)16-9-10-2-4-11(17)5-3-10/h6-8,10-11,16-17H,2-5,9,15H2,1H3
InChIKeyHVMCUZPFGHUQNT-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.64
Rot. Bonds4

About 4-[(2-amino-4-methylsulfonylanilino)methyl]cyclohexan-1-ol

4-[(2-amino-4-methylsulfonylanilino)methyl]cyclohexan-1-ol (PubChem CID 106120085) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 4-[(2-amino-4-methylsulfonylanilino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(2-amino-4-methylsulfonylanilino)methyl]cyclohexan-1-ol
PubChem CID106120085
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name4-[(2-amino-4-methylsulfonylanilino)methyl]cyclohexan-1-ol
SMILESCS(=O)(=O)c1ccc(NCC2CCC(O)CC2)c(N)c1
InChIInChI=1S/C14H22N2O3S/c1-20(18,19)12-6-7-14(13(15)8-12)16-9-10-2-4-11(17)5-3-10/h6-8,10-11,16-17H,2-5,9,15H2,1H3
InChIKeyHVMCUZPFGHUQNT-UHFFFAOYSA-N
XLogP1.64
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[(2-amino-4-methylsulfonylanilino)methyl]cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-[(4-methylcyclohexyl)methyl]-4-methylsulfonylbenzene-1,2-diamine
CID 63243524
4-[(4-methylsulfonylanilino)methyl]cyclohexan-1-ol
CID 106130891
1-N-(2-cyclopentylethyl)-4-methylsulfonylbenzene-1,2-diamine
CID 54932454
N-(cyclopropylmethyl)-2-methyl-5-methylsulfonylaniline
CID 43685183
3-[(4-methylsulfonyl-2-nitroanilino)methyl]cyclopentan-1-ol
CID 103269651
3-[(2-amino-4-methoxyanilino)methyl]cyclopentan-1-ol
CID 106119533
4-[(2-amino-5-methylanilino)methyl]cyclohexan-1-ol
CID 106120121
1-N-[2-(2-methylprop-2-enoxy)ethyl]-4-methylsulfonylbenzene-1,2-diamine
CID 114465328
1-N-(2-cyclopropylpropan-2-yl)-4-methylsulfonylbenzene-1,2-diamine
CID 114110446
3-(2-amino-4-methylsulfonylanilino)-2-methylpropane-1,2-diol
CID 66170096
4-[(2-amino-4-fluoro-5-methylanilino)methyl]cyclohexan-1-ol
CID 106120184
2-[(4-hydroxycyclohexyl)methylamino]benzenesulfonamide
CID 106130341

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-4-methylsulfonylanilino)methyl]cyclohexan-1-ol?
The IUPAC name of 4-[(2-amino-4-methylsulfonylanilino)methyl]cyclohexan-1-ol (CID 106120085) is 4-[(2-amino-4-methylsulfonylanilino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[(2-amino-4-methylsulfonylanilino)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[(2-amino-4-methylsulfonylanilino)methyl]cyclohexan-1-ol is CS(=O)(=O)c1ccc(NCC2CCC(O)CC2)c(N)c1.
What is the InChIKey of 4-[(2-amino-4-methylsulfonylanilino)methyl]cyclohexan-1-ol?
The InChIKey is HVMCUZPFGHUQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-20(18,19)12-6-7-14(13(15)8-12)16-9-10-2-4-11(17)5-3-10/h6-8,10-11,16-17H,2-5,9,15H2,1H3.
What are the key properties of 4-[(2-amino-4-methylsulfonylanilino)methyl]cyclohexan-1-ol?
4-[(2-amino-4-methylsulfonylanilino)methyl]cyclohexan-1-ol has a molecular weight of 298.41 g/mol, XLogP of 1.64, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-4-methylsulfonylanilino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 106120085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).