[2-(2-propylsulfonylanilino)cyclohexyl]methanol

C16H25NO3S — CID 106362332

IUPAC[2-(2-propylsulfonylanilino)cyclohexyl]methanol
SMILESCCCS(=O)(=O)c1ccccc1NC1CCCCC1CO
InChIInChI=1S/C16H25NO3S/c1-2-11-21(19,20)16-10-6-5-9-15(16)17-14-8-4-3-7-13(14)12-18/h5-6,9-10,13-14,17-18H,2-4,7-8,11-12H2,1H3
InChIKeyBVBNASSOPYCBGU-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.83
Rot. Bonds6

About [2-(2-propylsulfonylanilino)cyclohexyl]methanol

[2-(2-propylsulfonylanilino)cyclohexyl]methanol (PubChem CID 106362332) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is [2-(2-propylsulfonylanilino)cyclohexyl]methanol.

Molecular Properties

Compound Name[2-(2-propylsulfonylanilino)cyclohexyl]methanol
PubChem CID106362332
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC Name[2-(2-propylsulfonylanilino)cyclohexyl]methanol
SMILESCCCS(=O)(=O)c1ccccc1NC1CCCCC1CO
InChIInChI=1S/C16H25NO3S/c1-2-11-21(19,20)16-10-6-5-9-15(16)17-14-8-4-3-7-13(14)12-18/h5-6,9-10,13-14,17-18H,2-4,7-8,11-12H2,1H3
InChIKeyBVBNASSOPYCBGU-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylcyclohexyl)-2-propylsulfonylaniline
CID 61470216
2-[[2-(hydroxymethyl)cyclopentyl]amino]-N-methylbenzenesulfonamide
CID 106362109
2-[(1S,2R)-2-(2-ethylsulfonylanilino)cyclopentyl]ethanol
CID 100666033
N-(4-chlorocyclohexyl)-2-propylsulfonylaniline
CID 65027980
N-(2-ethylsulfonylphenyl)cycloheptanamine
CID 43453589
N-(cyclobutylmethyl)-2-propylsulfonylaniline
CID 43383343
N-(2-propylsulfonylphenyl)pyrrolidin-3-amine
CID 62380993
2-[(2-hydroxycyclohexyl)amino]-N-propylbenzenesulfonamide
CID 62359065
2,2-dimethyl-3-(2-propylsulfonylanilino)cyclobutan-1-ol
CID 114630104
1-cyclopentyl-N-(2-propylsulfonylphenyl)ethane-1,2-diamine
CID 106738112
N-ethyl-2-propylsulfonylaniline
CID 43453634
N-(2-ethylsulfonylphenyl)-2-methylthian-3-amine
CID 79957215

Frequently Asked Questions

What is the IUPAC name of [2-(2-propylsulfonylanilino)cyclohexyl]methanol?
The IUPAC name of [2-(2-propylsulfonylanilino)cyclohexyl]methanol (CID 106362332) is [2-(2-propylsulfonylanilino)cyclohexyl]methanol.
What is the SMILES notation for [2-(2-propylsulfonylanilino)cyclohexyl]methanol?
The canonical SMILES for [2-(2-propylsulfonylanilino)cyclohexyl]methanol is CCCS(=O)(=O)c1ccccc1NC1CCCCC1CO.
What is the InChIKey of [2-(2-propylsulfonylanilino)cyclohexyl]methanol?
The InChIKey is BVBNASSOPYCBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-2-11-21(19,20)16-10-6-5-9-15(16)17-14-8-4-3-7-13(14)12-18/h5-6,9-10,13-14,17-18H,2-4,7-8,11-12H2,1H3.
What are the key properties of [2-(2-propylsulfonylanilino)cyclohexyl]methanol?
[2-(2-propylsulfonylanilino)cyclohexyl]methanol has a molecular weight of 311.45 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-propylsulfonylanilino)cyclohexyl]methanol is sourced from PubChem (CID 106362332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).