N-(3-methylphenyl)-1,1-dioxothiolan-3-amine

C11H15NO2S — CID 3146697

IUPACN-(3-methylphenyl)-1,1-dioxothiolan-3-amine
SMILESCc1cccc(NC2CCS(=O)(=O)C2)c1
InChIInChI=1S/C11H15NO2S/c1-9-3-2-4-10(7-9)12-11-5-6-15(13,14)8-11/h2-4,7,11-12H,5-6,8H2,1H3
InChIKeyBKUNRPHSVGRPOU-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.59
Rot. Bonds2

About N-(3-methylphenyl)-1,1-dioxothiolan-3-amine

N-(3-methylphenyl)-1,1-dioxothiolan-3-amine (PubChem CID 3146697) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is N-(3-methylphenyl)-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-(3-methylphenyl)-1,1-dioxothiolan-3-amine
PubChem CID3146697
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC NameN-(3-methylphenyl)-1,1-dioxothiolan-3-amine
SMILESCc1cccc(NC2CCS(=O)(=O)C2)c1
InChIInChI=1S/C11H15NO2S/c1-9-3-2-4-10(7-9)12-11-5-6-15(13,14)8-11/h2-4,7,11-12H,5-6,8H2,1H3
InChIKeyBKUNRPHSVGRPOU-UHFFFAOYSA-N
XLogP1.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-methylphenyl)-1,1-dioxothiolan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-1,1-dioxothiolan-3-amine?
The IUPAC name of N-(3-methylphenyl)-1,1-dioxothiolan-3-amine (CID 3146697) is N-(3-methylphenyl)-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-(3-methylphenyl)-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-(3-methylphenyl)-1,1-dioxothiolan-3-amine is Cc1cccc(NC2CCS(=O)(=O)C2)c1.
What is the InChIKey of N-(3-methylphenyl)-1,1-dioxothiolan-3-amine?
The InChIKey is BKUNRPHSVGRPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-9-3-2-4-10(7-9)12-11-5-6-15(13,14)8-11/h2-4,7,11-12H,5-6,8H2,1H3.
What are the key properties of N-(3-methylphenyl)-1,1-dioxothiolan-3-amine?
N-(3-methylphenyl)-1,1-dioxothiolan-3-amine has a molecular weight of 225.31 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 3146697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).