N-cyclopentyl-1-[2-(2-oxopyrrolidin-1-yl)butanoyl]piperidine-3-sulfonamide

C18H31N3O4S — CID 127802994

IUPACN-cyclopentyl-1-[2-(2-oxopyrrolidin-1-yl)butanoyl]piperidine-3-sulfonamide
SMILESCCC(C(=O)N1CCCC(S(=O)(=O)NC2CCCC2)C1)N1CCCC1=O
InChIInChI=1S/C18H31N3O4S/c1-2-16(21-12-6-10-17(21)22)18(23)20-11-5-9-15(13-20)26(24,25)19-14-7-3-4-8-14/h14-16,19H,2-13H2,1H3
InChIKeyCXOHOSUTOYAPLY-UHFFFAOYSA-N
MW385.53 g/mol
LogP1.24
Rot. Bonds6

About N-cyclopentyl-1-[2-(2-oxopyrrolidin-1-yl)butanoyl]piperidine-3-sulfonamide

N-cyclopentyl-1-[2-(2-oxopyrrolidin-1-yl)butanoyl]piperidine-3-sulfonamide (PubChem CID 127802994) has the molecular formula C18H31N3O4S and a molecular weight of 385.53 g/mol. Its IUPAC name is N-cyclopentyl-1-[2-(2-oxopyrrolidin-1-yl)butanoyl]piperidine-3-sulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-1-[2-(2-oxopyrrolidin-1-yl)butanoyl]piperidine-3-sulfonamide
PubChem CID127802994
Molecular FormulaC18H31N3O4S
Molecular Weight385.53 g/mol
Exact Mass385.20
IUPAC NameN-cyclopentyl-1-[2-(2-oxopyrrolidin-1-yl)butanoyl]piperidine-3-sulfonamide
SMILESCCC(C(=O)N1CCCC(S(=O)(=O)NC2CCCC2)C1)N1CCCC1=O
InChIInChI=1S/C18H31N3O4S/c1-2-16(21-12-6-10-17(21)22)18(23)20-11-5-9-15(13-20)26(24,25)19-14-7-3-4-8-14/h14-16,19H,2-13H2,1H3
InChIKeyCXOHOSUTOYAPLY-UHFFFAOYSA-N
XLogP1.24
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-cyclopentyl-1-(2-methylpropanoyl)piperidine-3-sulfonamide
CID 97348594
(3R)-N-cyclopentyl-1-(2,2-dimethylpropanoyl)piperidine-3-sulfonamide
CID 97348527
1-[1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-oxobutan-2-yl]pyrrolidin-2-one;hydrochloride
CID 119636602
1-[(2R)-1-oxo-1-(4-phenylpiperidin-1-yl)butan-2-yl]pyrrolidin-2-one
CID 95776826
4-[3-(cyclopentylsulfamoyl)piperidin-1-yl]-4-oxobutanoic acid
CID 120551607
(3R)-N-cyclopentyl-1-(morpholine-4-carbonyl)piperidine-3-sulfonamide
CID 97348314
(2R)-N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-2-(2-oxopyrrolidin-1-yl)butanamide
CID 97025142
(3S)-N-cyclopentyl-1-[1-(2-methylpropyl)piperidine-4-carbonyl]piperidine-3-sulfonamide
CID 97348596
N-cyclopentyl-1-(1,3-thiazole-4-carbonyl)piperidine-3-sulfonamide
CID 75476178
1-[(2S)-1-[4-[2-(dimethylamino)ethyl]-1,4-diazepan-1-yl]-1-oxobutan-2-yl]pyrrolidin-2-one
CID 95784904
(3R)-1-(cyclopentanecarbonyl)-N-(1-propylpiperidin-4-yl)piperidine-3-sulfonamide
CID 97348332
(2R)-N-hydroxy-2-(2-oxopyrrolidin-1-yl)butanamide
CID 135817952

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-[2-(2-oxopyrrolidin-1-yl)butanoyl]piperidine-3-sulfonamide?
The IUPAC name of N-cyclopentyl-1-[2-(2-oxopyrrolidin-1-yl)butanoyl]piperidine-3-sulfonamide (CID 127802994) is N-cyclopentyl-1-[2-(2-oxopyrrolidin-1-yl)butanoyl]piperidine-3-sulfonamide.
What is the SMILES notation for N-cyclopentyl-1-[2-(2-oxopyrrolidin-1-yl)butanoyl]piperidine-3-sulfonamide?
The canonical SMILES for N-cyclopentyl-1-[2-(2-oxopyrrolidin-1-yl)butanoyl]piperidine-3-sulfonamide is CCC(C(=O)N1CCCC(S(=O)(=O)NC2CCCC2)C1)N1CCCC1=O.
What is the InChIKey of N-cyclopentyl-1-[2-(2-oxopyrrolidin-1-yl)butanoyl]piperidine-3-sulfonamide?
The InChIKey is CXOHOSUTOYAPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O4S/c1-2-16(21-12-6-10-17(21)22)18(23)20-11-5-9-15(13-20)26(24,25)19-14-7-3-4-8-14/h14-16,19H,2-13H2,1H3.
What are the key properties of N-cyclopentyl-1-[2-(2-oxopyrrolidin-1-yl)butanoyl]piperidine-3-sulfonamide?
N-cyclopentyl-1-[2-(2-oxopyrrolidin-1-yl)butanoyl]piperidine-3-sulfonamide has a molecular weight of 385.53 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-[2-(2-oxopyrrolidin-1-yl)butanoyl]piperidine-3-sulfonamide is sourced from PubChem (CID 127802994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).