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

C14H21NO3S — CID 106130891

IUPAC4-[(4-methylsulfonylanilino)methyl]cyclohexan-1-ol
SMILESCS(=O)(=O)c1ccc(NCC2CCC(O)CC2)cc1
InChIInChI=1S/C14H21NO3S/c1-19(17,18)14-8-4-12(5-9-14)15-10-11-2-6-13(16)7-3-11/h4-5,8-9,11,13,15-16H,2-3,6-7,10H2,1H3
InChIKeyVNVZBQLHWZLNHI-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.05
Rot. Bonds4

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

4-[(4-methylsulfonylanilino)methyl]cyclohexan-1-ol (PubChem CID 106130891) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 4-[(4-methylsulfonylanilino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(4-methylsulfonylanilino)methyl]cyclohexan-1-ol
PubChem CID106130891
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name4-[(4-methylsulfonylanilino)methyl]cyclohexan-1-ol
SMILESCS(=O)(=O)c1ccc(NCC2CCC(O)CC2)cc1
InChIInChI=1S/C14H21NO3S/c1-19(17,18)14-8-4-12(5-9-14)15-10-11-2-6-13(16)7-3-11/h4-5,8-9,11,13,15-16H,2-3,6-7,10H2,1H3
InChIKeyVNVZBQLHWZLNHI-UHFFFAOYSA-N
XLogP2.05
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methylsulfonyl-N-(thian-4-ylmethyl)aniline
CID 113412268
4-[(2-amino-4-methylsulfonylanilino)methyl]cyclohexan-1-ol
CID 106120085
N-ethyl-4-[(3-hydroxycyclopentyl)methylamino]benzenesulfonamide
CID 106128063
3-[[4-(difluoromethylsulfonyl)anilino]methyl]cyclopentan-1-ol
CID 103269700
4-(cyclopropylmethylamino)-N-ethylbenzenesulfonamide
CID 43453957
3-[(4-ethylsulfonylanilino)methyl]cyclobutan-1-ol
CID 66006142
4-[(pyridin-4-ylamino)methyl]cyclohexan-1-ol
CID 106130739
N-(2-bromoprop-2-enyl)-4-methylsulfonylaniline
CID 60871653
N-(cyclopropylmethyl)-6-methylsulfonylpyridin-3-amine
CID 43675328
N-(cyclopropylmethyl)-2-methyl-5-methylsulfonylaniline
CID 43685183
4-[(4-methyl-3-nitroanilino)methyl]cyclohexan-1-ol
CID 106130779
4-[(4-chlorocyclohexyl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 106125831

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylsulfonylanilino)methyl]cyclohexan-1-ol?
The IUPAC name of 4-[(4-methylsulfonylanilino)methyl]cyclohexan-1-ol (CID 106130891) is 4-[(4-methylsulfonylanilino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[(4-methylsulfonylanilino)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[(4-methylsulfonylanilino)methyl]cyclohexan-1-ol is CS(=O)(=O)c1ccc(NCC2CCC(O)CC2)cc1.
What is the InChIKey of 4-[(4-methylsulfonylanilino)methyl]cyclohexan-1-ol?
The InChIKey is VNVZBQLHWZLNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-19(17,18)14-8-4-12(5-9-14)15-10-11-2-6-13(16)7-3-11/h4-5,8-9,11,13,15-16H,2-3,6-7,10H2,1H3.
What are the key properties of 4-[(4-methylsulfonylanilino)methyl]cyclohexan-1-ol?
4-[(4-methylsulfonylanilino)methyl]cyclohexan-1-ol has a molecular weight of 283.39 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylsulfonylanilino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 106130891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).