propan-2-yl N-[2-(2-oxocyclopentyl)pyrrolidin-1-yl]sulfonylcarbamate

C13H22N2O5S — CID 114463743

IUPACpropan-2-yl N-[2-(2-oxocyclopentyl)pyrrolidin-1-yl]sulfonylcarbamate
SMILESCC(C)OC(=O)NS(=O)(=O)N1CCCC1C1CCCC1=O
InChIInChI=1S/C13H22N2O5S/c1-9(2)20-13(17)14-21(18,19)15-8-4-6-11(15)10-5-3-7-12(10)16/h9-11H,3-8H2,1-2H3,(H,14,17)
InChIKeyMKSMTDMMKCFFCK-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.20
Rot. Bonds4

About propan-2-yl N-[2-(2-oxocyclopentyl)pyrrolidin-1-yl]sulfonylcarbamate

propan-2-yl N-[2-(2-oxocyclopentyl)pyrrolidin-1-yl]sulfonylcarbamate (PubChem CID 114463743) has the molecular formula C13H22N2O5S and a molecular weight of 318.40 g/mol. Its IUPAC name is propan-2-yl N-[2-(2-oxocyclopentyl)pyrrolidin-1-yl]sulfonylcarbamate.

Molecular Properties

Compound Namepropan-2-yl N-[2-(2-oxocyclopentyl)pyrrolidin-1-yl]sulfonylcarbamate
PubChem CID114463743
Molecular FormulaC13H22N2O5S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Namepropan-2-yl N-[2-(2-oxocyclopentyl)pyrrolidin-1-yl]sulfonylcarbamate
SMILESCC(C)OC(=O)NS(=O)(=O)N1CCCC1C1CCCC1=O
InChIInChI=1S/C13H22N2O5S/c1-9(2)20-13(17)14-21(18,19)15-8-4-6-11(15)10-5-3-7-12(10)16/h9-11H,3-8H2,1-2H3,(H,14,17)
InChIKeyMKSMTDMMKCFFCK-UHFFFAOYSA-N
XLogP1.20
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze propan-2-yl N-[2-(2-oxocyclopentyl)pyrrolidin-1-yl]sulfonylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid
CID 104929099
propan-2-yl N-[2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylcarbamate
CID 114464141
propan-2-yl N-[2-(2-aminoethyl)pyrrolidin-1-yl]sulfonylcarbamate
CID 112747937
2-(1-ethylsulfonylpyrrolidin-2-yl)cyclohexan-1-one
CID 79546272
methyl 2-[1-(propan-2-yloxycarbonylsulfamoyl)piperidin-2-yl]acetate
CID 114465457
propan-2-yl N-[2-(2-oxopropyl)azepan-1-yl]sulfonylcarbamate
CID 114463754
propan-2-yl N-(azepan-1-ylsulfonyl)carbamate
CID 114463100
2-[1-(2-methoxypropanoyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 115870238
N-tert-butyl-2-[2-(2-oxocyclopentyl)pyrrolidin-1-yl]propanamide
CID 79544175
2-(1-propylsulfonylpyrrolidin-2-yl)cyclopentan-1-one
CID 79544242
(3S)-1-(propan-2-yloxycarbonylsulfamoyl)piperidine-3-carboxylic acid
CID 104929168
propan-2-yl N-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]sulfonylcarbamate
CID 102786595

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[2-(2-oxocyclopentyl)pyrrolidin-1-yl]sulfonylcarbamate?
The IUPAC name of propan-2-yl N-[2-(2-oxocyclopentyl)pyrrolidin-1-yl]sulfonylcarbamate (CID 114463743) is propan-2-yl N-[2-(2-oxocyclopentyl)pyrrolidin-1-yl]sulfonylcarbamate.
What is the SMILES notation for propan-2-yl N-[2-(2-oxocyclopentyl)pyrrolidin-1-yl]sulfonylcarbamate?
The canonical SMILES for propan-2-yl N-[2-(2-oxocyclopentyl)pyrrolidin-1-yl]sulfonylcarbamate is CC(C)OC(=O)NS(=O)(=O)N1CCCC1C1CCCC1=O.
What is the InChIKey of propan-2-yl N-[2-(2-oxocyclopentyl)pyrrolidin-1-yl]sulfonylcarbamate?
The InChIKey is MKSMTDMMKCFFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5S/c1-9(2)20-13(17)14-21(18,19)15-8-4-6-11(15)10-5-3-7-12(10)16/h9-11H,3-8H2,1-2H3,(H,14,17).
What are the key properties of propan-2-yl N-[2-(2-oxocyclopentyl)pyrrolidin-1-yl]sulfonylcarbamate?
propan-2-yl N-[2-(2-oxocyclopentyl)pyrrolidin-1-yl]sulfonylcarbamate has a molecular weight of 318.40 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[2-(2-oxocyclopentyl)pyrrolidin-1-yl]sulfonylcarbamate is sourced from PubChem (CID 114463743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).