N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetamide

C13H24N4O2S — CID 61442468

IUPACN-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetamide
SMILESCN(CC(=O)N(C)CCC(N)=S)CC(=O)N1CCCC1
InChIInChI=1S/C13H24N4O2S/c1-15(10-13(19)17-6-3-4-7-17)9-12(18)16(2)8-5-11(14)20/h3-10H2,1-2H3,(H2,14,20)
InChIKeyGIUGBPIFMYGUOT-UHFFFAOYSA-N
MW300.43 g/mol
LogP-0.32
Rot. Bonds7

About N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetamide

N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetamide (PubChem CID 61442468) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetamide
PubChem CID61442468
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetamide
SMILESCN(CC(=O)N(C)CCC(N)=S)CC(=O)N1CCCC1
InChIInChI=1S/C13H24N4O2S/c1-15(10-13(19)17-6-3-4-7-17)9-12(18)16(2)8-5-11(14)20/h3-10H2,1-2H3,(H2,14,20)
InChIKeyGIUGBPIFMYGUOT-UHFFFAOYSA-N
XLogP-0.32
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetamide 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-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethanethioamide
CID 60730410
3-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]propanamide
CID 55028667
2-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]-1-piperidin-1-ylethanone
CID 58826563
3-[(2-oxo-2-pyrrolidin-1-ylethyl)-propan-2-ylamino]propanethioamide
CID 54996516
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propanamide
CID 63207759
2-(4-acetylpiperazin-1-yl)-N-(3-amino-3-sulfanylidenepropyl)-N-methylacetamide
CID 43290388
1-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]pentan-2-one
CID 62044659
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide
CID 62545536
N-(3-amino-3-sulfanylidenepropyl)-2-(4-ethylpiperazin-1-yl)-N-methylacetamide
CID 43290470
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl-(1-methylpiperidin-4-yl)amino]propanamide
CID 43290375
N-(2-amino-2-sulfanylideneethyl)-N-methylpiperidine-1-carboxamide
CID 79155630
N-(3-amino-3-sulfanylidenepropyl)-2-(2-ethylpiperidin-1-yl)-N-methylacetamide
CID 43290617

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetamide (CID 61442468) is N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetamide is CN(CC(=O)N(C)CCC(N)=S)CC(=O)N1CCCC1.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetamide?
The InChIKey is GIUGBPIFMYGUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-15(10-13(19)17-6-3-4-7-17)9-12(18)16(2)8-5-11(14)20/h3-10H2,1-2H3,(H2,14,20).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetamide?
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetamide has a molecular weight of 300.43 g/mol, XLogP of -0.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetamide is sourced from PubChem (CID 61442468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).