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

C14H12N2O2S — CID 730903

IUPACN-(2-methylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine
SMILESCc1ccccc1NC1=NS(=O)(=O)c2ccccc21
InChIInChI=1S/C14H12N2O2S/c1-10-6-2-4-8-12(10)15-14-11-7-3-5-9-13(11)19(17,18)16-14/h2-9H,1H3,(H,15,16)
InChIKeyMSNPKCCQSAJQOT-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.56
Rot. Bonds1

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

N-(2-methylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine (PubChem CID 730903) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is N-(2-methylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine.

Molecular Properties

Compound NameN-(2-methylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine
PubChem CID730903
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC NameN-(2-methylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine
SMILESCc1ccccc1NC1=NS(=O)(=O)c2ccccc21
InChIInChI=1S/C14H12N2O2S/c1-10-6-2-4-8-12(10)15-14-11-7-3-5-9-13(11)19(17,18)16-14/h2-9H,1H3,(H,15,16)
InChIKeyMSNPKCCQSAJQOT-UHFFFAOYSA-N
XLogP2.56
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.56
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-1,2-benzothiazol-3-amine?
The IUPAC name of N-(2-methylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine (CID 730903) is N-(2-methylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine.
What is the SMILES notation for N-(2-methylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine?
The canonical SMILES for N-(2-methylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine is Cc1ccccc1NC1=NS(=O)(=O)c2ccccc21.
What is the InChIKey of N-(2-methylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine?
The InChIKey is MSNPKCCQSAJQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-10-6-2-4-8-12(10)15-14-11-7-3-5-9-13(11)19(17,18)16-14/h2-9H,1H3,(H,15,16).
What are the key properties of N-(2-methylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine?
N-(2-methylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine has a molecular weight of 272.33 g/mol, XLogP of 2.56, 1 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-1,2-benzothiazol-3-amine is sourced from PubChem (CID 730903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).