2-[1-(2-methylsulfonylethylsulfonyl)piperidin-2-yl]cyclopentan-1-ol

C13H25NO5S2 — CID 79536270

IUPAC2-[1-(2-methylsulfonylethylsulfonyl)piperidin-2-yl]cyclopentan-1-ol
SMILESCS(=O)(=O)CCS(=O)(=O)N1CCCCC1C1CCCC1O
InChIInChI=1S/C13H25NO5S2/c1-20(16,17)9-10-21(18,19)14-8-3-2-6-12(14)11-5-4-7-13(11)15/h11-13,15H,2-10H2,1H3
InChIKeyPDVXFVXGUCWBKP-UHFFFAOYSA-N
MW339.48 g/mol
LogP0.38
Rot. Bonds5

About 2-[1-(2-methylsulfonylethylsulfonyl)piperidin-2-yl]cyclopentan-1-ol

2-[1-(2-methylsulfonylethylsulfonyl)piperidin-2-yl]cyclopentan-1-ol (PubChem CID 79536270) has the molecular formula C13H25NO5S2 and a molecular weight of 339.48 g/mol. Its IUPAC name is 2-[1-(2-methylsulfonylethylsulfonyl)piperidin-2-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[1-(2-methylsulfonylethylsulfonyl)piperidin-2-yl]cyclopentan-1-ol
PubChem CID79536270
Molecular FormulaC13H25NO5S2
Molecular Weight339.48 g/mol
Exact Mass339.12
IUPAC Name2-[1-(2-methylsulfonylethylsulfonyl)piperidin-2-yl]cyclopentan-1-ol
SMILESCS(=O)(=O)CCS(=O)(=O)N1CCCCC1C1CCCC1O
InChIInChI=1S/C13H25NO5S2/c1-20(16,17)9-10-21(18,19)14-8-3-2-6-12(14)11-5-4-7-13(11)15/h11-13,15H,2-10H2,1H3
InChIKeyPDVXFVXGUCWBKP-UHFFFAOYSA-N
XLogP0.38
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylsulfonylethylsulfonyl)piperidin-2-yl]cyclopentan-1-ol?
The IUPAC name of 2-[1-(2-methylsulfonylethylsulfonyl)piperidin-2-yl]cyclopentan-1-ol (CID 79536270) is 2-[1-(2-methylsulfonylethylsulfonyl)piperidin-2-yl]cyclopentan-1-ol.
What is the SMILES notation for 2-[1-(2-methylsulfonylethylsulfonyl)piperidin-2-yl]cyclopentan-1-ol?
The canonical SMILES for 2-[1-(2-methylsulfonylethylsulfonyl)piperidin-2-yl]cyclopentan-1-ol is CS(=O)(=O)CCS(=O)(=O)N1CCCCC1C1CCCC1O.
What is the InChIKey of 2-[1-(2-methylsulfonylethylsulfonyl)piperidin-2-yl]cyclopentan-1-ol?
The InChIKey is PDVXFVXGUCWBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO5S2/c1-20(16,17)9-10-21(18,19)14-8-3-2-6-12(14)11-5-4-7-13(11)15/h11-13,15H,2-10H2,1H3.
What are the key properties of 2-[1-(2-methylsulfonylethylsulfonyl)piperidin-2-yl]cyclopentan-1-ol?
2-[1-(2-methylsulfonylethylsulfonyl)piperidin-2-yl]cyclopentan-1-ol has a molecular weight of 339.48 g/mol, XLogP of 0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylsulfonylethylsulfonyl)piperidin-2-yl]cyclopentan-1-ol is sourced from PubChem (CID 79536270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).