N-(3-amino-3-sulfanylidenepropyl)-N-methyl-1,1-dioxothiolane-3-carboxamide

C9H16N2O3S2 — CID 64905780

IUPACN-(3-amino-3-sulfanylidenepropyl)-N-methyl-1,1-dioxothiolane-3-carboxamide
SMILESCN(CCC(N)=S)C(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C9H16N2O3S2/c1-11(4-2-8(10)15)9(12)7-3-5-16(13,14)6-7/h7H,2-6H2,1H3,(H2,10,15)
InChIKeyWYOPSZYDBQFMNN-UHFFFAOYSA-N
MW264.37 g/mol
LogP-0.44
Rot. Bonds4

About N-(3-amino-3-sulfanylidenepropyl)-N-methyl-1,1-dioxothiolane-3-carboxamide

N-(3-amino-3-sulfanylidenepropyl)-N-methyl-1,1-dioxothiolane-3-carboxamide (PubChem CID 64905780) has the molecular formula C9H16N2O3S2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-N-methyl-1,1-dioxothiolane-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-N-methyl-1,1-dioxothiolane-3-carboxamide
PubChem CID64905780
Molecular FormulaC9H16N2O3S2
Molecular Weight264.37 g/mol
Exact Mass264.06
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-N-methyl-1,1-dioxothiolane-3-carboxamide
SMILESCN(CCC(N)=S)C(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C9H16N2O3S2/c1-11(4-2-8(10)15)9(12)7-3-5-16(13,14)6-7/h7H,2-6H2,1H3,(H2,10,15)
InChIKeyWYOPSZYDBQFMNN-UHFFFAOYSA-N
XLogP-0.44
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 5-0.44
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-1,1-dioxothiolane-3-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

N-(3-amino-3-sulfanylidenepropyl)-3-[(1,1-dioxothiolan-3-yl)-methylamino]-N-methylpropanamide
CID 43648745
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1,1-dioxothiolane-3-carboxamide
CID 79652406
N-(4-carbamothioylphenyl)-N-methyl-1,1-dioxothiolane-3-carboxamide
CID 64905373
N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methyl-1,1-dioxothiolane-3-carboxamide
CID 114760219
N-(3-aminopropyl)-N-(2-methoxyethyl)-1,1-dioxothiolane-3-carboxamide
CID 64913179
N-[(2-fluorophenyl)methyl]-N-methyl-1,1-dioxothiolane-3-carboxamide
CID 134012637
N-(dicyclopropylmethyl)-N-methyl-1,1-dioxothiolane-3-carboxamide
CID 49343158
N-(3-amino-3-sulfanylidenepropyl)-N-propylcyclopropanecarboxamide
CID 82103692
N-(2-chloroethyl)-1,1-dioxo-N-propylthiolane-3-carboxamide
CID 64906671
N-methyl-1,1-dioxo-N-[(4-phenylphenyl)methyl]thiolane-3-carboxamide
CID 134054105
1-(3-amino-3-sulfanylidenepropyl)-3-cyclobutyl-1-methylurea
CID 116658284
methyl 2-[(1,1-dioxothiolane-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 62952441

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-1,1-dioxothiolane-3-carboxamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-1,1-dioxothiolane-3-carboxamide (CID 64905780) is N-(3-amino-3-sulfanylidenepropyl)-N-methyl-1,1-dioxothiolane-3-carboxamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-N-methyl-1,1-dioxothiolane-3-carboxamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-N-methyl-1,1-dioxothiolane-3-carboxamide is CN(CCC(N)=S)C(=O)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-1,1-dioxothiolane-3-carboxamide?
The InChIKey is WYOPSZYDBQFMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S2/c1-11(4-2-8(10)15)9(12)7-3-5-16(13,14)6-7/h7H,2-6H2,1H3,(H2,10,15).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-1,1-dioxothiolane-3-carboxamide?
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-1,1-dioxothiolane-3-carboxamide has a molecular weight of 264.37 g/mol, XLogP of -0.44, 4 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-1,1-dioxothiolane-3-carboxamide is sourced from PubChem (CID 64905780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).