[1-(4-methylsulfonylanilino)cyclopentyl]methanol

C13H19NO3S — CID 55082586

IUPAC[1-(4-methylsulfonylanilino)cyclopentyl]methanol
SMILESCS(=O)(=O)c1ccc(NC2(CO)CCCC2)cc1
InChIInChI=1S/C13H19NO3S/c1-18(16,17)12-6-4-11(5-7-12)14-13(10-15)8-2-3-9-13/h4-7,14-15H,2-3,8-10H2,1H3
InChIKeyOPBZGVRCWYDEKQ-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.81
Rot. Bonds4

About [1-(4-methylsulfonylanilino)cyclopentyl]methanol

[1-(4-methylsulfonylanilino)cyclopentyl]methanol (PubChem CID 55082586) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is [1-(4-methylsulfonylanilino)cyclopentyl]methanol.

Molecular Properties

Compound Name[1-(4-methylsulfonylanilino)cyclopentyl]methanol
PubChem CID55082586
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name[1-(4-methylsulfonylanilino)cyclopentyl]methanol
SMILESCS(=O)(=O)c1ccc(NC2(CO)CCCC2)cc1
InChIInChI=1S/C13H19NO3S/c1-18(16,17)12-6-4-11(5-7-12)14-13(10-15)8-2-3-9-13/h4-7,14-15H,2-3,8-10H2,1H3
InChIKeyOPBZGVRCWYDEKQ-UHFFFAOYSA-N
XLogP1.81
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(4-methylsulfonylanilino)cyclopentyl]methanol?
The IUPAC name of [1-(4-methylsulfonylanilino)cyclopentyl]methanol (CID 55082586) is [1-(4-methylsulfonylanilino)cyclopentyl]methanol.
What is the SMILES notation for [1-(4-methylsulfonylanilino)cyclopentyl]methanol?
The canonical SMILES for [1-(4-methylsulfonylanilino)cyclopentyl]methanol is CS(=O)(=O)c1ccc(NC2(CO)CCCC2)cc1.
What is the InChIKey of [1-(4-methylsulfonylanilino)cyclopentyl]methanol?
The InChIKey is OPBZGVRCWYDEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-18(16,17)12-6-4-11(5-7-12)14-13(10-15)8-2-3-9-13/h4-7,14-15H,2-3,8-10H2,1H3.
What are the key properties of [1-(4-methylsulfonylanilino)cyclopentyl]methanol?
[1-(4-methylsulfonylanilino)cyclopentyl]methanol has a molecular weight of 269.37 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylsulfonylanilino)cyclopentyl]methanol is sourced from PubChem (CID 55082586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).