3-methylsulfonyl-1-(1-pyrrolidin-1-ylcyclopentyl)propan-1-ol

C13H25NO3S — CID 79057695

IUPAC3-methylsulfonyl-1-(1-pyrrolidin-1-ylcyclopentyl)propan-1-ol
SMILESCS(=O)(=O)CCC(O)C1(N2CCCC2)CCCC1
InChIInChI=1S/C13H25NO3S/c1-18(16,17)11-6-12(15)13(7-2-3-8-13)14-9-4-5-10-14/h12,15H,2-11H2,1H3
InChIKeyYLEPSBUNLLZOOX-UHFFFAOYSA-N
MW275.41 g/mol
LogP1.19
Rot. Bonds5

About 3-methylsulfonyl-1-(1-pyrrolidin-1-ylcyclopentyl)propan-1-ol

3-methylsulfonyl-1-(1-pyrrolidin-1-ylcyclopentyl)propan-1-ol (PubChem CID 79057695) has the molecular formula C13H25NO3S and a molecular weight of 275.41 g/mol. Its IUPAC name is 3-methylsulfonyl-1-(1-pyrrolidin-1-ylcyclopentyl)propan-1-ol.

Molecular Properties

Compound Name3-methylsulfonyl-1-(1-pyrrolidin-1-ylcyclopentyl)propan-1-ol
PubChem CID79057695
Molecular FormulaC13H25NO3S
Molecular Weight275.41 g/mol
Exact Mass275.16
IUPAC Name3-methylsulfonyl-1-(1-pyrrolidin-1-ylcyclopentyl)propan-1-ol
SMILESCS(=O)(=O)CCC(O)C1(N2CCCC2)CCCC1
InChIInChI=1S/C13H25NO3S/c1-18(16,17)11-6-12(15)13(7-2-3-8-13)14-9-4-5-10-14/h12,15H,2-11H2,1H3
InChIKeyYLEPSBUNLLZOOX-UHFFFAOYSA-N
XLogP1.19
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.41
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-1-(1-pyrrolidin-1-ylcyclopentyl)propan-1-ol?
The IUPAC name of 3-methylsulfonyl-1-(1-pyrrolidin-1-ylcyclopentyl)propan-1-ol (CID 79057695) is 3-methylsulfonyl-1-(1-pyrrolidin-1-ylcyclopentyl)propan-1-ol.
What is the SMILES notation for 3-methylsulfonyl-1-(1-pyrrolidin-1-ylcyclopentyl)propan-1-ol?
The canonical SMILES for 3-methylsulfonyl-1-(1-pyrrolidin-1-ylcyclopentyl)propan-1-ol is CS(=O)(=O)CCC(O)C1(N2CCCC2)CCCC1.
What is the InChIKey of 3-methylsulfonyl-1-(1-pyrrolidin-1-ylcyclopentyl)propan-1-ol?
The InChIKey is YLEPSBUNLLZOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3S/c1-18(16,17)11-6-12(15)13(7-2-3-8-13)14-9-4-5-10-14/h12,15H,2-11H2,1H3.
What are the key properties of 3-methylsulfonyl-1-(1-pyrrolidin-1-ylcyclopentyl)propan-1-ol?
3-methylsulfonyl-1-(1-pyrrolidin-1-ylcyclopentyl)propan-1-ol has a molecular weight of 275.41 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-1-(1-pyrrolidin-1-ylcyclopentyl)propan-1-ol is sourced from PubChem (CID 79057695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).