2-(2-oxopyrrolidin-1-yl)-N-(thian-4-ylmethyl)butanamide

C14H24N2O2S — CID 75374709

IUPAC2-(2-oxopyrrolidin-1-yl)-N-(thian-4-ylmethyl)butanamide
SMILESCCC(C(=O)NCC1CCSCC1)N1CCCC1=O
InChIInChI=1S/C14H24N2O2S/c1-2-12(16-7-3-4-13(16)17)14(18)15-10-11-5-8-19-9-6-11/h11-12H,2-10H2,1H3,(H,15,18)
InChIKeyQPXUNFJDBJPTFM-UHFFFAOYSA-N
MW284.42 g/mol
LogP1.65
Rot. Bonds5

About 2-(2-oxopyrrolidin-1-yl)-N-(thian-4-ylmethyl)butanamide

2-(2-oxopyrrolidin-1-yl)-N-(thian-4-ylmethyl)butanamide (PubChem CID 75374709) has the molecular formula C14H24N2O2S and a molecular weight of 284.42 g/mol. Its IUPAC name is 2-(2-oxopyrrolidin-1-yl)-N-(thian-4-ylmethyl)butanamide.

Molecular Properties

Compound Name2-(2-oxopyrrolidin-1-yl)-N-(thian-4-ylmethyl)butanamide
PubChem CID75374709
Molecular FormulaC14H24N2O2S
Molecular Weight284.42 g/mol
Exact Mass284.16
IUPAC Name2-(2-oxopyrrolidin-1-yl)-N-(thian-4-ylmethyl)butanamide
SMILESCCC(C(=O)NCC1CCSCC1)N1CCCC1=O
InChIInChI=1S/C14H24N2O2S/c1-2-12(16-7-3-4-13(16)17)14(18)15-10-11-5-8-19-9-6-11/h11-12H,2-10H2,1H3,(H,15,18)
InChIKeyQPXUNFJDBJPTFM-UHFFFAOYSA-N
XLogP1.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-oxopyrrolidin-1-yl)-N-(thian-4-ylmethyl)butanamide 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-(2-oxothiolan-3-yl)butanamide
CID 2938038
3-methyl-4-(3-methylbutyl)-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide
CID 53383078
(2S)-2-[4-(methylsulfanylmethyl)-2-oxopyrrolidin-1-yl]butanamide
CID 9877970
(2S)-2-[(4R)-4-(methylsulfanylmethyl)-2-oxopyrrolidin-1-yl]butanamide
CID 11436159
1-[3-(Thian-4-ylamino)pyrrolidin-1-yl]propan-1-one
CID 71969178
8-[(6,6-Dimethyl-5-oxothiomorpholin-3-yl)carbonyl]-2-isobutyl-2,8-diazaspiro[4.5]decan-3-one
CID 72896544
8-[(6,6-Dimethyl-5-oxothiomorpholin-3-yl)carbonyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one
CID 72937622
2-Methyl-1-[3-(thian-4-ylamino)pyrrolidin-1-yl]propan-1-one
CID 118740659
(3S,6S)-3-(2-methylsulfanylethyl)-6-propan-2-ylpiperazine-2,5-dione
CID 163112287
8-methyl-4-propanoyl-N-propyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 20919141
3-methyl-4-(2-methylbutyl)-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide
CID 53383073
1-(5-Oxo-1,4-thiazepane-3-carbonyl)piperidine-4-carboxamide
CID 71797998

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopyrrolidin-1-yl)-N-(thian-4-ylmethyl)butanamide?
The IUPAC name of 2-(2-oxopyrrolidin-1-yl)-N-(thian-4-ylmethyl)butanamide (CID 75374709) is 2-(2-oxopyrrolidin-1-yl)-N-(thian-4-ylmethyl)butanamide.
What is the SMILES notation for 2-(2-oxopyrrolidin-1-yl)-N-(thian-4-ylmethyl)butanamide?
The canonical SMILES for 2-(2-oxopyrrolidin-1-yl)-N-(thian-4-ylmethyl)butanamide is CCC(C(=O)NCC1CCSCC1)N1CCCC1=O.
What is the InChIKey of 2-(2-oxopyrrolidin-1-yl)-N-(thian-4-ylmethyl)butanamide?
The InChIKey is QPXUNFJDBJPTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-2-12(16-7-3-4-13(16)17)14(18)15-10-11-5-8-19-9-6-11/h11-12H,2-10H2,1H3,(H,15,18).
What are the key properties of 2-(2-oxopyrrolidin-1-yl)-N-(thian-4-ylmethyl)butanamide?
2-(2-oxopyrrolidin-1-yl)-N-(thian-4-ylmethyl)butanamide has a molecular weight of 284.42 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopyrrolidin-1-yl)-N-(thian-4-ylmethyl)butanamide is sourced from PubChem (CID 75374709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).