1-(4-methylphenyl)-N-(thiophen-2-ylmethylsulfamoyl)methanamine

C13H16N2O2S2 — CID 1475434

IUPAC1-(4-methylphenyl)-N-(thiophen-2-ylmethylsulfamoyl)methanamine
SMILESCc1ccc(CNS(=O)(=O)NCc2cccs2)cc1
InChIInChI=1S/C13H16N2O2S2/c1-11-4-6-12(7-5-11)9-14-19(16,17)15-10-13-3-2-8-18-13/h2-8,14-15H,9-10H2,1H3
InChIKeyKITNVISGAPHFFG-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.18
Rot. Bonds6

About 1-(4-methylphenyl)-N-(thiophen-2-ylmethylsulfamoyl)methanamine

1-(4-methylphenyl)-N-(thiophen-2-ylmethylsulfamoyl)methanamine (PubChem CID 1475434) has the molecular formula C13H16N2O2S2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-(thiophen-2-ylmethylsulfamoyl)methanamine.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-(thiophen-2-ylmethylsulfamoyl)methanamine
PubChem CID1475434
Molecular FormulaC13H16N2O2S2
Molecular Weight296.42 g/mol
Exact Mass296.07
IUPAC Name1-(4-methylphenyl)-N-(thiophen-2-ylmethylsulfamoyl)methanamine
SMILESCc1ccc(CNS(=O)(=O)NCc2cccs2)cc1
InChIInChI=1S/C13H16N2O2S2/c1-11-4-6-12(7-5-11)9-14-19(16,17)15-10-13-3-2-8-18-13/h2-8,14-15H,9-10H2,1H3
InChIKeyKITNVISGAPHFFG-UHFFFAOYSA-N
XLogP2.18
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-(thiophen-2-ylmethylsulfamoyl)methanamine?
The IUPAC name of 1-(4-methylphenyl)-N-(thiophen-2-ylmethylsulfamoyl)methanamine (CID 1475434) is 1-(4-methylphenyl)-N-(thiophen-2-ylmethylsulfamoyl)methanamine.
What is the SMILES notation for 1-(4-methylphenyl)-N-(thiophen-2-ylmethylsulfamoyl)methanamine?
The canonical SMILES for 1-(4-methylphenyl)-N-(thiophen-2-ylmethylsulfamoyl)methanamine is Cc1ccc(CNS(=O)(=O)NCc2cccs2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-(thiophen-2-ylmethylsulfamoyl)methanamine?
The InChIKey is KITNVISGAPHFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S2/c1-11-4-6-12(7-5-11)9-14-19(16,17)15-10-13-3-2-8-18-13/h2-8,14-15H,9-10H2,1H3.
What are the key properties of 1-(4-methylphenyl)-N-(thiophen-2-ylmethylsulfamoyl)methanamine?
1-(4-methylphenyl)-N-(thiophen-2-ylmethylsulfamoyl)methanamine has a molecular weight of 296.42 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-(thiophen-2-ylmethylsulfamoyl)methanamine is sourced from PubChem (CID 1475434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).