N-(3-methylphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine

C11H13NO2S — CID 2830164

IUPACN-(3-methylphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
SMILESCc1cccc(NC2C=CS(=O)(=O)C2)c1
InChIInChI=1S/C11H13NO2S/c1-9-3-2-4-10(7-9)12-11-5-6-15(13,14)8-11/h2-7,11-12H,8H2,1H3
InChIKeyGKKVNLXLFGUEFH-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.72
Rot. Bonds2

About N-(3-methylphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine

N-(3-methylphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine (PubChem CID 2830164) has the molecular formula C11H13NO2S and a molecular weight of 223.30 g/mol. Its IUPAC name is N-(3-methylphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine.

Molecular Properties

Compound NameN-(3-methylphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
PubChem CID2830164
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC NameN-(3-methylphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
SMILESCc1cccc(NC2C=CS(=O)(=O)C2)c1
InChIInChI=1S/C11H13NO2S/c1-9-3-2-4-10(7-9)12-11-5-6-15(13,14)8-11/h2-7,11-12H,8H2,1H3
InChIKeyGKKVNLXLFGUEFH-UHFFFAOYSA-N
XLogP1.72
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-methylphenyl)-1,1-dioxo-2,3-dihydrothiophen-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

Related Compounds

(3S)-N-(3-chlorophenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
CID 7126529
3-(3-methylphenyl)-2,3-dihydrothiophene 1,1-dioxide
CID 43841874
3-bromo-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)pyridin-4-amine
CID 104777130
4-[[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]methyl]-3-methylbenzamide
CID 114480478
N-[(6-bromo-2-pyridinyl)methyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine
CID 112582461
2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-N-(4-methylphenyl)acetamide
CID 60693984
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-fluoro-3-methylbenzamide
CID 81480398
1-N-(3-methylphenyl)cyclohexane-1,3-diamine
CID 79458335
N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-methyl-N-(3-methylphenyl)propanamide
CID 27396519
N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-methyl-N-(3-methylphenyl)propanamide
CID 27396518
N-(azetidin-3-ylmethyl)-3-methylaniline
CID 84655686
N-(3-methylphenyl)piperidin-4-amine;dihydrochloride
CID 66545678

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine?
The IUPAC name of N-(3-methylphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine (CID 2830164) is N-(3-methylphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine.
What is the SMILES notation for N-(3-methylphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine?
The canonical SMILES for N-(3-methylphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine is Cc1cccc(NC2C=CS(=O)(=O)C2)c1.
What is the InChIKey of N-(3-methylphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine?
The InChIKey is GKKVNLXLFGUEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2S/c1-9-3-2-4-10(7-9)12-11-5-6-15(13,14)8-11/h2-7,11-12H,8H2,1H3.
What are the key properties of N-(3-methylphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine?
N-(3-methylphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine has a molecular weight of 223.30 g/mol, XLogP of 1.72, 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-dioxo-2,3-dihydrothiophen-3-amine is sourced from PubChem (CID 2830164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).