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

C11H13NO2S — CID 2997953

IUPACN-(2-methylphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
SMILESCc1ccccc1NC1C=CS(=O)(=O)C1
InChIInChI=1S/C11H13NO2S/c1-9-4-2-3-5-11(9)12-10-6-7-15(13,14)8-10/h2-7,10,12H,8H2,1H3
InChIKeyPNWNKJDFBJGZKX-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.72
Rot. Bonds2

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

N-(2-methylphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine (PubChem CID 2997953) has the molecular formula C11H13NO2S and a molecular weight of 223.30 g/mol. Its IUPAC name is N-(2-methylphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine.

Molecular Properties

Compound NameN-(2-methylphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
PubChem CID2997953
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC NameN-(2-methylphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
SMILESCc1ccccc1NC1C=CS(=O)(=O)C1
InChIInChI=1S/C11H13NO2S/c1-9-4-2-3-5-11(9)12-10-6-7-15(13,14)8-10/h2-7,10,12H,8H2,1H3
InChIKeyPNWNKJDFBJGZKX-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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine?
The IUPAC name of N-(2-methylphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine (CID 2997953) is N-(2-methylphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine.
What is the SMILES notation for N-(2-methylphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine?
The canonical SMILES for N-(2-methylphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine is Cc1ccccc1NC1C=CS(=O)(=O)C1.
What is the InChIKey of N-(2-methylphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine?
The InChIKey is PNWNKJDFBJGZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2S/c1-9-4-2-3-5-11(9)12-10-6-7-15(13,14)8-10/h2-7,10,12H,8H2,1H3.
What are the key properties of N-(2-methylphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine?
N-(2-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-(2-methylphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine is sourced from PubChem (CID 2997953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).