2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethanethioamide

C9H17N3OS — CID 60730410

IUPAC2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethanethioamide
SMILESCN(CC(=O)N1CCCC1)CC(N)=S
InChIInChI=1S/C9H17N3OS/c1-11(6-8(10)14)7-9(13)12-4-2-3-5-12/h2-7H2,1H3,(H2,10,14)
InChIKeySADZMCFUIFNLGN-UHFFFAOYSA-N
MW215.32 g/mol
LogP-0.17
Rot. Bonds4

About 2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethanethioamide

2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethanethioamide (PubChem CID 60730410) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is 2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethanethioamide.

Molecular Properties

Compound Name2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethanethioamide
PubChem CID60730410
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC Name2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethanethioamide
SMILESCN(CC(=O)N1CCCC1)CC(N)=S
InChIInChI=1S/C9H17N3OS/c1-11(6-8(10)14)7-9(13)12-4-2-3-5-12/h2-7H2,1H3,(H2,10,14)
InChIKeySADZMCFUIFNLGN-UHFFFAOYSA-N
XLogP-0.17
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]-1-piperidin-1-ylethanone
CID 58826563
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetamide
CID 61442468
3-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]propanamide
CID 55028667
N-(2-amino-2-sulfanylideneethyl)-N-methylpiperidine-1-carboxamide
CID 79155630
1-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]pentan-2-one
CID 62044659
3-oxo-3-pyrrolidin-1-ylpropanethioamide
CID 2771373
1-(azepan-1-yl)-2-[2-hydroxypropyl(methyl)amino]ethanone
CID 62332976
3-[(2-oxo-2-pyrrolidin-1-ylethyl)-propan-2-ylamino]propanethioamide
CID 54996516
1-[2-[(2-amino-2-oxoethyl)-methylamino]acetyl]piperidine-4-carboxylic acid
CID 62658956
2-[(4-amino-3,3-dimethylbutyl)-methylamino]-1-pyrrolidin-1-ylethanone
CID 65247152
2-[[1-(2-aminoethyl)cyclopropyl]methyl-methylamino]-1-pyrrolidin-1-ylethanone
CID 65480925
N-(2-amino-2-sulfanylideneethyl)-N-propan-2-ylazepane-1-carboxamide
CID 79152199

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethanethioamide?
The IUPAC name of 2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethanethioamide (CID 60730410) is 2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethanethioamide.
What is the SMILES notation for 2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethanethioamide?
The canonical SMILES for 2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethanethioamide is CN(CC(=O)N1CCCC1)CC(N)=S.
What is the InChIKey of 2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethanethioamide?
The InChIKey is SADZMCFUIFNLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS/c1-11(6-8(10)14)7-9(13)12-4-2-3-5-12/h2-7H2,1H3,(H2,10,14).
What are the key properties of 2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethanethioamide?
2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethanethioamide has a molecular weight of 215.32 g/mol, XLogP of -0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethanethioamide is sourced from PubChem (CID 60730410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).