N-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]ethanesulfonamide

C12H22N2O3S — CID 53016562

IUPACN-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCN(C(=O)C2CCCC2)C1
InChIInChI=1S/C12H22N2O3S/c1-2-18(16,17)13-11-7-8-14(9-11)12(15)10-5-3-4-6-10/h10-11,13H,2-9H2,1H3
InChIKeyNEIAVLAWWKHDAG-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.72
Rot. Bonds4

About N-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]ethanesulfonamide

N-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]ethanesulfonamide (PubChem CID 53016562) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is N-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]ethanesulfonamide
PubChem CID53016562
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC NameN-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCN(C(=O)C2CCCC2)C1
InChIInChI=1S/C12H22N2O3S/c1-2-18(16,17)13-11-7-8-14(9-11)12(15)10-5-3-4-6-10/h10-11,13H,2-9H2,1H3
InChIKeyNEIAVLAWWKHDAG-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-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]ethanesulfonamide?
The IUPAC name of N-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]ethanesulfonamide (CID 53016562) is N-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]ethanesulfonamide.
What is the SMILES notation for N-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]ethanesulfonamide?
The canonical SMILES for N-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]ethanesulfonamide is CCS(=O)(=O)NC1CCN(C(=O)C2CCCC2)C1.
What is the InChIKey of N-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]ethanesulfonamide?
The InChIKey is NEIAVLAWWKHDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S/c1-2-18(16,17)13-11-7-8-14(9-11)12(15)10-5-3-4-6-10/h10-11,13H,2-9H2,1H3.
What are the key properties of N-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]ethanesulfonamide?
N-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]ethanesulfonamide 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-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]ethanesulfonamide is sourced from PubChem (CID 53016562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).