[3-aminopropyl(sulfamoyl)amino]benzene

C9H15N3O2S — CID 115580045

IUPAC[3-aminopropyl(sulfamoyl)amino]benzene
SMILESNCCCN(c1ccccc1)S(N)(=O)=O
InChIInChI=1S/C9H15N3O2S/c10-7-4-8-12(15(11,13)14)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8,10H2,(H2,11,13,14)
InChIKeyQQHOMPNBHWDBSS-UHFFFAOYSA-N
MW229.31 g/mol
LogP0.05
Rot. Bonds5

About [3-aminopropyl(sulfamoyl)amino]benzene

[3-aminopropyl(sulfamoyl)amino]benzene (PubChem CID 115580045) has the molecular formula C9H15N3O2S and a molecular weight of 229.31 g/mol. Its IUPAC name is [3-aminopropyl(sulfamoyl)amino]benzene.

Molecular Properties

Compound Name[3-aminopropyl(sulfamoyl)amino]benzene
PubChem CID115580045
Molecular FormulaC9H15N3O2S
Molecular Weight229.31 g/mol
Exact Mass229.09
IUPAC Name[3-aminopropyl(sulfamoyl)amino]benzene
SMILESNCCCN(c1ccccc1)S(N)(=O)=O
InChIInChI=1S/C9H15N3O2S/c10-7-4-8-12(15(11,13)14)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8,10H2,(H2,11,13,14)
InChIKeyQQHOMPNBHWDBSS-UHFFFAOYSA-N
XLogP0.05
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-1,1-difluoro-N-phenylmethanesulfonamide
CID 43135974
N'-(diethylsulfamoyl)-N'-phenylpropane-1,3-diamine
CID 43135973
[3-aminopropyl(cyclopropylsulfamoyl)amino]benzene
CID 114803326
N-(3-aminopropyl)-N-(4-methylphenyl)propane-2-sulfonamide
CID 60859443
ethene;N'-methyl-N'-phenylpropane-1,3-diamine
CID 143617453
N-(3-aminopropyl)-N-(4-fluorophenyl)propane-2-sulfonamide
CID 60859587
ethyl 2-(N-sulfamoylanilino)acetate
CID 67139831
N-(3-aminopropyl)-2-hydroxy-N-phenylbenzamide
CID 16791949
3-[N-(3-aminopropyl)anilino]propanoic acid
CID 63654243
N-(3-aminopropyl)-2-methylsulfonyl-N-phenylpropanamide
CID 104517075
N-(3-aminopropyl)-1,1-difluoro-N-(3-fluorophenyl)methanesulfonamide
CID 43136203
N'-(diethylsulfamoyl)-N'-(4-methylphenyl)propane-1,3-diamine
CID 43318680

Frequently Asked Questions

What is the IUPAC name of [3-aminopropyl(sulfamoyl)amino]benzene?
The IUPAC name of [3-aminopropyl(sulfamoyl)amino]benzene (CID 115580045) is [3-aminopropyl(sulfamoyl)amino]benzene.
What is the SMILES notation for [3-aminopropyl(sulfamoyl)amino]benzene?
The canonical SMILES for [3-aminopropyl(sulfamoyl)amino]benzene is NCCCN(c1ccccc1)S(N)(=O)=O.
What is the InChIKey of [3-aminopropyl(sulfamoyl)amino]benzene?
The InChIKey is QQHOMPNBHWDBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c10-7-4-8-12(15(11,13)14)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8,10H2,(H2,11,13,14).
What are the key properties of [3-aminopropyl(sulfamoyl)amino]benzene?
[3-aminopropyl(sulfamoyl)amino]benzene has a molecular weight of 229.31 g/mol, XLogP of 0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-aminopropyl(sulfamoyl)amino]benzene is sourced from PubChem (CID 115580045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).