3-N-(2-methylpropylsulfamoyl)benzene-1,3-diamine

C10H17N3O2S — CID 114814004

IUPAC3-N-(2-methylpropylsulfamoyl)benzene-1,3-diamine
SMILESCC(C)CNS(=O)(=O)Nc1cccc(N)c1
InChIInChI=1S/C10H17N3O2S/c1-8(2)7-12-16(14,15)13-10-5-3-4-9(11)6-10/h3-6,8,12-13H,7,11H2,1-2H3
InChIKeyWRJHRIQKYBJEHN-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.17
Rot. Bonds5

About 3-N-(2-methylpropylsulfamoyl)benzene-1,3-diamine

3-N-(2-methylpropylsulfamoyl)benzene-1,3-diamine (PubChem CID 114814004) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 3-N-(2-methylpropylsulfamoyl)benzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(2-methylpropylsulfamoyl)benzene-1,3-diamine
PubChem CID114814004
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name3-N-(2-methylpropylsulfamoyl)benzene-1,3-diamine
SMILESCC(C)CNS(=O)(=O)Nc1cccc(N)c1
InChIInChI=1S/C10H17N3O2S/c1-8(2)7-12-16(14,15)13-10-5-3-4-9(11)6-10/h3-6,8,12-13H,7,11H2,1-2H3
InChIKeyWRJHRIQKYBJEHN-UHFFFAOYSA-N
XLogP1.17
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-(2-methylpropylsulfamoyl)aniline
CID 114815403
3-[1-(methylamino)ethyl]-N-(2-methylpropylsulfamoyl)aniline
CID 114814952
3-N-(2-methylpropyl)benzene-1,3-diamine
CID 43132719
N-(2-methylpropylsulfamoyl)-3-[1-(propylamino)ethyl]aniline
CID 114814956
N'-hydroxy-2-[3-(2-methylpropylsulfamoylamino)phenoxy]ethanimidamide
CID 114816568
4-[3-(2-methylpropylsulfamoylamino)phenyl]but-3-yn-1-ol
CID 114816397
4-bromo-3-methyl-N-(2-methylpropylsulfamoyl)aniline
CID 114815397
N-(3-aminophenyl)-2,2,2-trifluoroethanesulfonamide
CID 20650751
methyl 2-[(3-aminophenyl)sulfamoyl]propanoate
CID 54951310
N-(3-aminophenyl)butane-1-sulfonamide
CID 16778445
4-(1-amino-2-methylpropan-2-yl)-N-(2-methylpropylsulfamoyl)aniline
CID 114813837
3-bromo-2-methyl-N-(2-methylpropylsulfamoyl)aniline
CID 107640767

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-methylpropylsulfamoyl)benzene-1,3-diamine?
The IUPAC name of 3-N-(2-methylpropylsulfamoyl)benzene-1,3-diamine (CID 114814004) is 3-N-(2-methylpropylsulfamoyl)benzene-1,3-diamine.
What is the SMILES notation for 3-N-(2-methylpropylsulfamoyl)benzene-1,3-diamine?
The canonical SMILES for 3-N-(2-methylpropylsulfamoyl)benzene-1,3-diamine is CC(C)CNS(=O)(=O)Nc1cccc(N)c1.
What is the InChIKey of 3-N-(2-methylpropylsulfamoyl)benzene-1,3-diamine?
The InChIKey is WRJHRIQKYBJEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-8(2)7-12-16(14,15)13-10-5-3-4-9(11)6-10/h3-6,8,12-13H,7,11H2,1-2H3.
What are the key properties of 3-N-(2-methylpropylsulfamoyl)benzene-1,3-diamine?
3-N-(2-methylpropylsulfamoyl)benzene-1,3-diamine has a molecular weight of 243.33 g/mol, XLogP of 1.17, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-methylpropylsulfamoyl)benzene-1,3-diamine is sourced from PubChem (CID 114814004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).