N-(3,5-dimethylphenyl)-1,1-dioxo-1-benzothiophen-7-amine

C16H15NO2S — CID 134146183

IUPACN-(3,5-dimethylphenyl)-1,1-dioxo-1-benzothiophen-7-amine
SMILESCc1cc(C)cc(Nc2cccc3c2S(=O)(=O)C=C3)c1
InChIInChI=1S/C16H15NO2S/c1-11-8-12(2)10-14(9-11)17-15-5-3-4-13-6-7-20(18,19)16(13)15/h3-10,17H,1-2H3
InChIKeyPRSUSFCWHJZEQZ-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.81
Rot. Bonds2

About N-(3,5-dimethylphenyl)-1,1-dioxo-1-benzothiophen-7-amine

N-(3,5-dimethylphenyl)-1,1-dioxo-1-benzothiophen-7-amine (PubChem CID 134146183) has the molecular formula C16H15NO2S and a molecular weight of 285.37 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-1,1-dioxo-1-benzothiophen-7-amine.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-1,1-dioxo-1-benzothiophen-7-amine
PubChem CID134146183
Molecular FormulaC16H15NO2S
Molecular Weight285.37 g/mol
Exact Mass285.08
IUPAC NameN-(3,5-dimethylphenyl)-1,1-dioxo-1-benzothiophen-7-amine
SMILESCc1cc(C)cc(Nc2cccc3c2S(=O)(=O)C=C3)c1
InChIInChI=1S/C16H15NO2S/c1-11-8-12(2)10-14(9-11)17-15-5-3-4-13-6-7-20(18,19)16(13)15/h3-10,17H,1-2H3
InChIKeyPRSUSFCWHJZEQZ-UHFFFAOYSA-N
XLogP3.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-1,1-dioxo-1-benzothiophen-7-amine?
The IUPAC name of N-(3,5-dimethylphenyl)-1,1-dioxo-1-benzothiophen-7-amine (CID 134146183) is N-(3,5-dimethylphenyl)-1,1-dioxo-1-benzothiophen-7-amine.
What is the SMILES notation for N-(3,5-dimethylphenyl)-1,1-dioxo-1-benzothiophen-7-amine?
The canonical SMILES for N-(3,5-dimethylphenyl)-1,1-dioxo-1-benzothiophen-7-amine is Cc1cc(C)cc(Nc2cccc3c2S(=O)(=O)C=C3)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-1,1-dioxo-1-benzothiophen-7-amine?
The InChIKey is PRSUSFCWHJZEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2S/c1-11-8-12(2)10-14(9-11)17-15-5-3-4-13-6-7-20(18,19)16(13)15/h3-10,17H,1-2H3.
What are the key properties of N-(3,5-dimethylphenyl)-1,1-dioxo-1-benzothiophen-7-amine?
N-(3,5-dimethylphenyl)-1,1-dioxo-1-benzothiophen-7-amine has a molecular weight of 285.37 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-1,1-dioxo-1-benzothiophen-7-amine is sourced from PubChem (CID 134146183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).