N-(4-methylphenyl)-1,1-dioxothiolan-3-amine

C11H15NO2S — CID 2818402

IUPACN-(4-methylphenyl)-1,1-dioxothiolan-3-amine
SMILESCc1ccc(NC2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C11H15NO2S/c1-9-2-4-10(5-3-9)12-11-6-7-15(13,14)8-11/h2-5,11-12H,6-8H2,1H3
InChIKeyOYIYNRJSSMVTOA-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.59
Rot. Bonds2

About N-(4-methylphenyl)-1,1-dioxothiolan-3-amine

N-(4-methylphenyl)-1,1-dioxothiolan-3-amine (PubChem CID 2818402) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is N-(4-methylphenyl)-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-1,1-dioxothiolan-3-amine
PubChem CID2818402
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC NameN-(4-methylphenyl)-1,1-dioxothiolan-3-amine
SMILESCc1ccc(NC2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C11H15NO2S/c1-9-2-4-10(5-3-9)12-11-6-7-15(13,14)8-11/h2-5,11-12H,6-8H2,1H3
InChIKeyOYIYNRJSSMVTOA-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

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-1,1-dioxothiolan-3-amine?
The IUPAC name of N-(4-methylphenyl)-1,1-dioxothiolan-3-amine (CID 2818402) is N-(4-methylphenyl)-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-(4-methylphenyl)-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-(4-methylphenyl)-1,1-dioxothiolan-3-amine is Cc1ccc(NC2CCS(=O)(=O)C2)cc1.
What is the InChIKey of N-(4-methylphenyl)-1,1-dioxothiolan-3-amine?
The InChIKey is OYIYNRJSSMVTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-9-2-4-10(5-3-9)12-11-6-7-15(13,14)8-11/h2-5,11-12H,6-8H2,1H3.
What are the key properties of N-(4-methylphenyl)-1,1-dioxothiolan-3-amine?
N-(4-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-(4-methylphenyl)-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 2818402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).