N-[(1,1-dioxothiolan-2-yl)methyl]-2-ethylpyrrolidine-2-carboxamide

C12H22N2O3S — CID 83073450

IUPACN-[(1,1-dioxothiolan-2-yl)methyl]-2-ethylpyrrolidine-2-carboxamide
SMILESCCC1(C(=O)NCC2CCCS2(=O)=O)CCCN1
InChIInChI=1S/C12H22N2O3S/c1-2-12(6-4-7-14-12)11(15)13-9-10-5-3-8-18(10,16)17/h10,14H,2-9H2,1H3,(H,13,15)
InChIKeyVAXHLDFUXDURMX-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.21
Rot. Bonds4

About N-[(1,1-dioxothiolan-2-yl)methyl]-2-ethylpyrrolidine-2-carboxamide

N-[(1,1-dioxothiolan-2-yl)methyl]-2-ethylpyrrolidine-2-carboxamide (PubChem CID 83073450) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is N-[(1,1-dioxothiolan-2-yl)methyl]-2-ethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(1,1-dioxothiolan-2-yl)methyl]-2-ethylpyrrolidine-2-carboxamide
PubChem CID83073450
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC NameN-[(1,1-dioxothiolan-2-yl)methyl]-2-ethylpyrrolidine-2-carboxamide
SMILESCCC1(C(=O)NCC2CCCS2(=O)=O)CCCN1
InChIInChI=1S/C12H22N2O3S/c1-2-12(6-4-7-14-12)11(15)13-9-10-5-3-8-18(10,16)17/h10,14H,2-9H2,1H3,(H,13,15)
InChIKeyVAXHLDFUXDURMX-UHFFFAOYSA-N
XLogP0.21
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1,1-dioxothiolan-2-yl)methyl]-2-ethylpyrrolidine-2-carboxamide 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

2-ethyl-N-(oxan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 83072536
2-ethyl-N-(thian-2-ylmethyl)pyrrolidine-2-carboxamide
CID 83072987
1-carbamothioyl-N-[(1,1-dioxothiolan-2-yl)methyl]cyclopentane-1-carboxamide
CID 81038821
N-(2-cyclopropyl-2-hydroxyethyl)-2-ethylpyrrolidine-2-carboxamide
CID 83071544
N-(2,3-dihydroxypropyl)-2-ethylpyrrolidine-2-carboxamide
CID 83072487
1-(aminomethyl)-N-[(1,1-dioxothiolan-2-yl)methyl]-4-methylcyclohexane-1-carboxamide
CID 115442449
2-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-1-methylcyclopentane-1-carboxamide
CID 82768186
2-ethyl-N-prop-2-enylpyrrolidine-2-carboxamide
CID 83079812
cyclopropyl-(2-ethylpyrrolidin-2-yl)methanone
CID 116608291
N-(azetidin-3-yl)-2-ethylpyrrolidine-2-carboxamide;hydrochloride
CID 130637882
N-[(1,1-dioxothiolan-2-yl)methyl]-2-sulfanylacetamide
CID 81046326
ethyl N-[(1,1-dioxothiolan-2-yl)methyl]carbamate
CID 81046471

Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothiolan-2-yl)methyl]-2-ethylpyrrolidine-2-carboxamide?
The IUPAC name of N-[(1,1-dioxothiolan-2-yl)methyl]-2-ethylpyrrolidine-2-carboxamide (CID 83073450) is N-[(1,1-dioxothiolan-2-yl)methyl]-2-ethylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(1,1-dioxothiolan-2-yl)methyl]-2-ethylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[(1,1-dioxothiolan-2-yl)methyl]-2-ethylpyrrolidine-2-carboxamide is CCC1(C(=O)NCC2CCCS2(=O)=O)CCCN1.
What is the InChIKey of N-[(1,1-dioxothiolan-2-yl)methyl]-2-ethylpyrrolidine-2-carboxamide?
The InChIKey is VAXHLDFUXDURMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S/c1-2-12(6-4-7-14-12)11(15)13-9-10-5-3-8-18(10,16)17/h10,14H,2-9H2,1H3,(H,13,15).
What are the key properties of N-[(1,1-dioxothiolan-2-yl)methyl]-2-ethylpyrrolidine-2-carboxamide?
N-[(1,1-dioxothiolan-2-yl)methyl]-2-ethylpyrrolidine-2-carboxamide has a molecular weight of 274.39 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1-dioxothiolan-2-yl)methyl]-2-ethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 83073450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).