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

C11H22N2O3S — CID 65213274

IUPAC1-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclopentan-1-ol
SMILESCS(=O)(=O)N1CCN(CC2(O)CCCC2)CC1
InChIInChI=1S/C11H22N2O3S/c1-17(15,16)13-8-6-12(7-9-13)10-11(14)4-2-3-5-11/h14H,2-10H2,1H3
InChIKeyGRVYJGWPKXPUJT-UHFFFAOYSA-N
MW262.37 g/mol
LogP-0.13
Rot. Bonds3

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

1-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclopentan-1-ol (PubChem CID 65213274) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is 1-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclopentan-1-ol
PubChem CID65213274
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name1-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclopentan-1-ol
SMILESCS(=O)(=O)N1CCN(CC2(O)CCCC2)CC1
InChIInChI=1S/C11H22N2O3S/c1-17(15,16)13-8-6-12(7-9-13)10-11(14)4-2-3-5-11/h14H,2-10H2,1H3
InChIKeyGRVYJGWPKXPUJT-UHFFFAOYSA-N
XLogP-0.13
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 ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclopentan-1-ol?
The IUPAC name of 1-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclopentan-1-ol (CID 65213274) is 1-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclopentan-1-ol is CS(=O)(=O)N1CCN(CC2(O)CCCC2)CC1.
What is the InChIKey of 1-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclopentan-1-ol?
The InChIKey is GRVYJGWPKXPUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-17(15,16)13-8-6-12(7-9-13)10-11(14)4-2-3-5-11/h14H,2-10H2,1H3.
What are the key properties of 1-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclopentan-1-ol?
1-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclopentan-1-ol has a molecular weight of 262.37 g/mol, XLogP of -0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclopentan-1-ol is sourced from PubChem (CID 65213274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).