2-methyl-1-N-(propan-2-ylsulfamoyl)benzene-1,4-diamine

C10H17N3O2S — CID 114804165

IUPAC2-methyl-1-N-(propan-2-ylsulfamoyl)benzene-1,4-diamine
SMILESCc1cc(N)ccc1NS(=O)(=O)NC(C)C
InChIInChI=1S/C10H17N3O2S/c1-7(2)12-16(14,15)13-10-5-4-9(11)6-8(10)3/h4-7,12-13H,11H2,1-3H3
InChIKeyUBEWWZPILUNDJN-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.23
Rot. Bonds4

About 2-methyl-1-N-(propan-2-ylsulfamoyl)benzene-1,4-diamine

2-methyl-1-N-(propan-2-ylsulfamoyl)benzene-1,4-diamine (PubChem CID 114804165) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-methyl-1-N-(propan-2-ylsulfamoyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-methyl-1-N-(propan-2-ylsulfamoyl)benzene-1,4-diamine
PubChem CID114804165
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name2-methyl-1-N-(propan-2-ylsulfamoyl)benzene-1,4-diamine
SMILESCc1cc(N)ccc1NS(=O)(=O)NC(C)C
InChIInChI=1S/C10H17N3O2S/c1-7(2)12-16(14,15)13-10-5-4-9(11)6-8(10)3/h4-7,12-13H,11H2,1-3H3
InChIKeyUBEWWZPILUNDJN-UHFFFAOYSA-N
XLogP1.23
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-N-(propan-2-ylsulfamoyl)benzene-1,4-diamine?
The IUPAC name of 2-methyl-1-N-(propan-2-ylsulfamoyl)benzene-1,4-diamine (CID 114804165) is 2-methyl-1-N-(propan-2-ylsulfamoyl)benzene-1,4-diamine.
What is the SMILES notation for 2-methyl-1-N-(propan-2-ylsulfamoyl)benzene-1,4-diamine?
The canonical SMILES for 2-methyl-1-N-(propan-2-ylsulfamoyl)benzene-1,4-diamine is Cc1cc(N)ccc1NS(=O)(=O)NC(C)C.
What is the InChIKey of 2-methyl-1-N-(propan-2-ylsulfamoyl)benzene-1,4-diamine?
The InChIKey is UBEWWZPILUNDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-7(2)12-16(14,15)13-10-5-4-9(11)6-8(10)3/h4-7,12-13H,11H2,1-3H3.
What are the key properties of 2-methyl-1-N-(propan-2-ylsulfamoyl)benzene-1,4-diamine?
2-methyl-1-N-(propan-2-ylsulfamoyl)benzene-1,4-diamine has a molecular weight of 243.33 g/mol, XLogP of 1.23, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-N-(propan-2-ylsulfamoyl)benzene-1,4-diamine is sourced from PubChem (CID 114804165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).