2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclopentan-1-ol

C11H22N2O3S — CID 63002934

IUPAC2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclopentan-1-ol
SMILESCS(=O)(=O)N1CCN(CC2CCCC2O)CC1
InChIInChI=1S/C11H22N2O3S/c1-17(15,16)13-7-5-12(6-8-13)9-10-3-2-4-11(10)14/h10-11,14H,2-9H2,1H3
InChIKeyCNGBUZPXFQKTLN-UHFFFAOYSA-N
MW262.37 g/mol
LogP-0.28
Rot. Bonds3

About 2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclopentan-1-ol

2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclopentan-1-ol (PubChem CID 63002934) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is 2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclopentan-1-ol
PubChem CID63002934
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclopentan-1-ol
SMILESCS(=O)(=O)N1CCN(CC2CCCC2O)CC1
InChIInChI=1S/C11H22N2O3S/c1-17(15,16)13-7-5-12(6-8-13)9-10-3-2-4-11(10)14/h10-11,14H,2-9H2,1H3
InChIKeyCNGBUZPXFQKTLN-UHFFFAOYSA-N
XLogP-0.28
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclopentan-1-ol?
The IUPAC name of 2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclopentan-1-ol (CID 63002934) is 2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclopentan-1-ol?
The canonical SMILES for 2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclopentan-1-ol is CS(=O)(=O)N1CCN(CC2CCCC2O)CC1.
What is the InChIKey of 2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclopentan-1-ol?
The InChIKey is CNGBUZPXFQKTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-17(15,16)13-7-5-12(6-8-13)9-10-3-2-4-11(10)14/h10-11,14H,2-9H2,1H3.
What are the key properties of 2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclopentan-1-ol?
2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclopentan-1-ol has a molecular weight of 262.37 g/mol, XLogP of -0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclopentan-1-ol is sourced from PubChem (CID 63002934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).