[1-(4-propylsulfonylanilino)cyclohexyl]methanol

C16H25NO3S — CID 62520983

IUPAC[1-(4-propylsulfonylanilino)cyclohexyl]methanol
SMILESCCCS(=O)(=O)c1ccc(NC2(CO)CCCCC2)cc1
InChIInChI=1S/C16H25NO3S/c1-2-12-21(19,20)15-8-6-14(7-9-15)17-16(13-18)10-4-3-5-11-16/h6-9,17-18H,2-5,10-13H2,1H3
InChIKeyGRYQLNUUBYVDMG-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.98
Rot. Bonds6

About [1-(4-propylsulfonylanilino)cyclohexyl]methanol

[1-(4-propylsulfonylanilino)cyclohexyl]methanol (PubChem CID 62520983) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is [1-(4-propylsulfonylanilino)cyclohexyl]methanol.

Molecular Properties

Compound Name[1-(4-propylsulfonylanilino)cyclohexyl]methanol
PubChem CID62520983
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC Name[1-(4-propylsulfonylanilino)cyclohexyl]methanol
SMILESCCCS(=O)(=O)c1ccc(NC2(CO)CCCCC2)cc1
InChIInChI=1S/C16H25NO3S/c1-2-12-21(19,20)15-8-6-14(7-9-15)17-16(13-18)10-4-3-5-11-16/h6-9,17-18H,2-5,10-13H2,1H3
InChIKeyGRYQLNUUBYVDMG-UHFFFAOYSA-N
XLogP2.98
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [1-(4-propylsulfonylanilino)cyclohexyl]methanol 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-(4-methylsulfonylanilino)cyclopentyl]methanol
CID 55082586
[1-[4-(difluoromethylsulfonyl)anilino]cyclohexyl]methanol
CID 62519924
[1-(4-methylanilino)cycloheptyl]methanol
CID 61044779
N-(1-ethylcyclobutyl)-4-ethylsulfonylaniline
CID 113488863
[1-(4-nitroanilino)cyclohexyl]methanol
CID 62520982
N-(4-propylsulfonylphenyl)hydroxylamine
CID 130500550
[1-(4-nitroanilino)cyclopentyl]methanol
CID 59683301
[4-(4-methylsulfonylanilino)oxan-4-yl]methanol
CID 106299965
N-[1-(aminomethyl)cyclohexyl]-4-methylsulfonylaniline
CID 55243938
4-[[1-(aminomethyl)cyclopentyl]amino]-N-ethylbenzenesulfonamide
CID 63761185
[1-[4-(trifluoromethyl)anilino]cyclohexyl]methanol
CID 62649108
2-(4-propylsulfonylanilino)oxyacetic acid
CID 113498190

Frequently Asked Questions

What is the IUPAC name of [1-(4-propylsulfonylanilino)cyclohexyl]methanol?
The IUPAC name of [1-(4-propylsulfonylanilino)cyclohexyl]methanol (CID 62520983) is [1-(4-propylsulfonylanilino)cyclohexyl]methanol.
What is the SMILES notation for [1-(4-propylsulfonylanilino)cyclohexyl]methanol?
The canonical SMILES for [1-(4-propylsulfonylanilino)cyclohexyl]methanol is CCCS(=O)(=O)c1ccc(NC2(CO)CCCCC2)cc1.
What is the InChIKey of [1-(4-propylsulfonylanilino)cyclohexyl]methanol?
The InChIKey is GRYQLNUUBYVDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-2-12-21(19,20)15-8-6-14(7-9-15)17-16(13-18)10-4-3-5-11-16/h6-9,17-18H,2-5,10-13H2,1H3.
What are the key properties of [1-(4-propylsulfonylanilino)cyclohexyl]methanol?
[1-(4-propylsulfonylanilino)cyclohexyl]methanol has a molecular weight of 311.45 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-propylsulfonylanilino)cyclohexyl]methanol is sourced from PubChem (CID 62520983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).