N-[2-(2-cyclopentylpyrrolidin-1-yl)-2-oxoethyl]methanesulfonamide

C12H22N2O3S — CID 71937519

IUPACN-[2-(2-cyclopentylpyrrolidin-1-yl)-2-oxoethyl]methanesulfonamide
SMILESCS(=O)(=O)NCC(=O)N1CCCC1C1CCCC1
InChIInChI=1S/C12H22N2O3S/c1-18(16,17)13-9-12(15)14-8-4-7-11(14)10-5-2-3-6-10/h10-11,13H,2-9H2,1H3
InChIKeyBKIPKVGYRIHJLM-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.72
Rot. Bonds4

About N-[2-(2-cyclopentylpyrrolidin-1-yl)-2-oxoethyl]methanesulfonamide

N-[2-(2-cyclopentylpyrrolidin-1-yl)-2-oxoethyl]methanesulfonamide (PubChem CID 71937519) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is N-[2-(2-cyclopentylpyrrolidin-1-yl)-2-oxoethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-cyclopentylpyrrolidin-1-yl)-2-oxoethyl]methanesulfonamide
PubChem CID71937519
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC NameN-[2-(2-cyclopentylpyrrolidin-1-yl)-2-oxoethyl]methanesulfonamide
SMILESCS(=O)(=O)NCC(=O)N1CCCC1C1CCCC1
InChIInChI=1S/C12H22N2O3S/c1-18(16,17)13-9-12(15)14-8-4-7-11(14)10-5-2-3-6-10/h10-11,13H,2-9H2,1H3
InChIKeyBKIPKVGYRIHJLM-UHFFFAOYSA-N
XLogP0.72
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyclopentylpyrrolidin-1-yl)-2-oxoethyl]methanesulfonamide?
The IUPAC name of N-[2-(2-cyclopentylpyrrolidin-1-yl)-2-oxoethyl]methanesulfonamide (CID 71937519) is N-[2-(2-cyclopentylpyrrolidin-1-yl)-2-oxoethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(2-cyclopentylpyrrolidin-1-yl)-2-oxoethyl]methanesulfonamide?
The canonical SMILES for N-[2-(2-cyclopentylpyrrolidin-1-yl)-2-oxoethyl]methanesulfonamide is CS(=O)(=O)NCC(=O)N1CCCC1C1CCCC1.
What is the InChIKey of N-[2-(2-cyclopentylpyrrolidin-1-yl)-2-oxoethyl]methanesulfonamide?
The InChIKey is BKIPKVGYRIHJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S/c1-18(16,17)13-9-12(15)14-8-4-7-11(14)10-5-2-3-6-10/h10-11,13H,2-9H2,1H3.
What are the key properties of N-[2-(2-cyclopentylpyrrolidin-1-yl)-2-oxoethyl]methanesulfonamide?
N-[2-(2-cyclopentylpyrrolidin-1-yl)-2-oxoethyl]methanesulfonamide has a molecular weight of 274.39 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-cyclopentylpyrrolidin-1-yl)-2-oxoethyl]methanesulfonamide is sourced from PubChem (CID 71937519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).