N-(2-methylsulfonylethyl)-1-pyrrolidin-1-ylcyclopentane-1-carboxamide

C13H24N2O3S — CID 50948147

IUPACN-(2-methylsulfonylethyl)-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
SMILESCS(=O)(=O)CCNC(=O)C1(N2CCCC2)CCCC1
InChIInChI=1S/C13H24N2O3S/c1-19(17,18)11-8-14-12(16)13(6-2-3-7-13)15-9-4-5-10-15/h2-11H2,1H3,(H,14,16)
InChIKeyFIOZRIVTVIENSF-UHFFFAOYSA-N
MW288.41 g/mol
LogP0.56
Rot. Bonds5

About N-(2-methylsulfonylethyl)-1-pyrrolidin-1-ylcyclopentane-1-carboxamide

N-(2-methylsulfonylethyl)-1-pyrrolidin-1-ylcyclopentane-1-carboxamide (PubChem CID 50948147) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is N-(2-methylsulfonylethyl)-1-pyrrolidin-1-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(2-methylsulfonylethyl)-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
PubChem CID50948147
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC NameN-(2-methylsulfonylethyl)-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
SMILESCS(=O)(=O)CCNC(=O)C1(N2CCCC2)CCCC1
InChIInChI=1S/C13H24N2O3S/c1-19(17,18)11-8-14-12(16)13(6-2-3-7-13)15-9-4-5-10-15/h2-11H2,1H3,(H,14,16)
InChIKeyFIOZRIVTVIENSF-UHFFFAOYSA-N
XLogP0.56
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfonylethyl)-1-pyrrolidin-1-ylcyclopentane-1-carboxamide?
The IUPAC name of N-(2-methylsulfonylethyl)-1-pyrrolidin-1-ylcyclopentane-1-carboxamide (CID 50948147) is N-(2-methylsulfonylethyl)-1-pyrrolidin-1-ylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(2-methylsulfonylethyl)-1-pyrrolidin-1-ylcyclopentane-1-carboxamide?
The canonical SMILES for N-(2-methylsulfonylethyl)-1-pyrrolidin-1-ylcyclopentane-1-carboxamide is CS(=O)(=O)CCNC(=O)C1(N2CCCC2)CCCC1.
What is the InChIKey of N-(2-methylsulfonylethyl)-1-pyrrolidin-1-ylcyclopentane-1-carboxamide?
The InChIKey is FIOZRIVTVIENSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-19(17,18)11-8-14-12(16)13(6-2-3-7-13)15-9-4-5-10-15/h2-11H2,1H3,(H,14,16).
What are the key properties of N-(2-methylsulfonylethyl)-1-pyrrolidin-1-ylcyclopentane-1-carboxamide?
N-(2-methylsulfonylethyl)-1-pyrrolidin-1-ylcyclopentane-1-carboxamide has a molecular weight of 288.41 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfonylethyl)-1-pyrrolidin-1-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 50948147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).