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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Related Compounds

2-Methanesulfonylamino-ethanesulfonic acid [(1R,3R)-3-((S)-1-amino-2-oxo-2-pyrrolidin-1-yl-ethyl)-cyclopentyl]-amide
CID 10046311
N-[(1S,3S)-3-[(1S)-1-amino-2-oxo-2-pyrrolidin-1-ylethyl]cyclopentyl]-2-(methanesulfonamido)ethanesulfonamide
CID 44381645
N-[1-(cyclopentanecarbonyl)piperidin-4-yl]ethanesulfonamide
CID 40166757
3-Cyclopentyl-N-{4-[(dimethylamino)methyl]-1-methanesulfonylpyrrolidin-3-YL}propanamide
CID 91911002
(1S,11R)-2-propylsulfonyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 110199334
N-[1-(cyclopentylcarbonyl)tetrahydro-1H-pyrrol-3-yl]methanesulfonamide
CID 53016569
N-[1-(bicyclo[4.1.0]heptane-7-carbonyl)pyrrolidin-3-yl]propane-1-sulfonamide
CID 84585425
1-cyclopentyl-N-[(3S)-2-oxopyrrolidin-3-yl]methanesulfonamide
CID 125448538
1-(2,2-difluorocyclopentyl)-N-(1-ethyl-5-oxopyrrolidin-3-yl)methanesulfonamide
CID 128585607
1-cyclopentyl-N-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]methanesulfonamide
CID 164637523
1-cyclopentyl-N-[[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]methanesulfonamide
CID 164640214
1-[1-(3,3-difluorocyclopentanecarbonyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide
CID 136539265

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).