N-methyl-1,1-dioxo-N-phenylthiazetidine-2-carboxamide

C10H12N2O3S — CID 11107463

IUPACN-methyl-1,1-dioxo-N-phenylthiazetidine-2-carboxamide
SMILESCN(C(=O)N1CCS1(=O)=O)c1ccccc1
InChIInChI=1S/C10H12N2O3S/c1-11(9-5-3-2-4-6-9)10(13)12-7-8-16(12,14)15/h2-6H,7-8H2,1H3
InChIKeyAGPLKWMLDJGGML-UHFFFAOYSA-N
MW240.28 g/mol
LogP0.89
Rot. Bonds1

About N-methyl-1,1-dioxo-N-phenylthiazetidine-2-carboxamide

N-methyl-1,1-dioxo-N-phenylthiazetidine-2-carboxamide (PubChem CID 11107463) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is N-methyl-1,1-dioxo-N-phenylthiazetidine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-1,1-dioxo-N-phenylthiazetidine-2-carboxamide
PubChem CID11107463
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC NameN-methyl-1,1-dioxo-N-phenylthiazetidine-2-carboxamide
SMILESCN(C(=O)N1CCS1(=O)=O)c1ccccc1
InChIInChI=1S/C10H12N2O3S/c1-11(9-5-3-2-4-6-9)10(13)12-7-8-16(12,14)15/h2-6H,7-8H2,1H3
InChIKeyAGPLKWMLDJGGML-UHFFFAOYSA-N
XLogP0.89
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-methyl-1,1-dioxo-N-phenylthiazetidine-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

N-methyl-N-phenylpiperidine-1-carboxamide
CID 54133936
1-[methyl(phenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61186495
N-methyl-N,4-diphenylpiperazine-1-carboxamide
CID 890140
N-methyl-2-(4-methylpiperazin-1-yl)-2-oxo-N-phenylacetamide
CID 47336148
1-[methyl(phenyl)carbamoyl]piperidine-4-carboxylic acid
CID 28513181
N-methyl-4-methylsulfinyl-N-phenylpiperazine-1-carboxamide
CID 169107036
N-methyl-3-(4-methylpiperazin-1-yl)-N-phenylpropanamide
CID 110856844
2-(4-benzylpiperazin-1-yl)-N-methyl-N-phenylacetamide
CID 44768291
N,3-dimethyl-N-phenylpiperidine-1-carboxamide
CID 108990934
1,3-dimethyl-1,3-diphenylselenourea
CID 12787621
3-[4-[2-(N-methylanilino)-2-oxoethyl]piperazin-1-yl]propanoic acid
CID 134069440
N-methyl-2-(4-methylpiperazin-1-yl)-N-(4-phenylsulfanylphenyl)acetamide
CID 12734396

Frequently Asked Questions

What is the IUPAC name of N-methyl-1,1-dioxo-N-phenylthiazetidine-2-carboxamide?
The IUPAC name of N-methyl-1,1-dioxo-N-phenylthiazetidine-2-carboxamide (CID 11107463) is N-methyl-1,1-dioxo-N-phenylthiazetidine-2-carboxamide.
What is the SMILES notation for N-methyl-1,1-dioxo-N-phenylthiazetidine-2-carboxamide?
The canonical SMILES for N-methyl-1,1-dioxo-N-phenylthiazetidine-2-carboxamide is CN(C(=O)N1CCS1(=O)=O)c1ccccc1.
What is the InChIKey of N-methyl-1,1-dioxo-N-phenylthiazetidine-2-carboxamide?
The InChIKey is AGPLKWMLDJGGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S/c1-11(9-5-3-2-4-6-9)10(13)12-7-8-16(12,14)15/h2-6H,7-8H2,1H3.
What are the key properties of N-methyl-1,1-dioxo-N-phenylthiazetidine-2-carboxamide?
N-methyl-1,1-dioxo-N-phenylthiazetidine-2-carboxamide has a molecular weight of 240.28 g/mol, XLogP of 0.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,1-dioxo-N-phenylthiazetidine-2-carboxamide is sourced from PubChem (CID 11107463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).