[3-aminopropyl(cyclopropylsulfamoyl)amino]benzene

C12H19N3O2S — CID 114803326

IUPAC[3-aminopropyl(cyclopropylsulfamoyl)amino]benzene
SMILESNCCCN(c1ccccc1)S(=O)(=O)NC1CC1
InChIInChI=1S/C12H19N3O2S/c13-9-4-10-15(12-5-2-1-3-6-12)18(16,17)14-11-7-8-11/h1-3,5-6,11,14H,4,7-10,13H2
InChIKeyYIUDOWWFJHQMOX-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.84
Rot. Bonds7

About [3-aminopropyl(cyclopropylsulfamoyl)amino]benzene

[3-aminopropyl(cyclopropylsulfamoyl)amino]benzene (PubChem CID 114803326) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is [3-aminopropyl(cyclopropylsulfamoyl)amino]benzene.

Molecular Properties

Compound Name[3-aminopropyl(cyclopropylsulfamoyl)amino]benzene
PubChem CID114803326
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name[3-aminopropyl(cyclopropylsulfamoyl)amino]benzene
SMILESNCCCN(c1ccccc1)S(=O)(=O)NC1CC1
InChIInChI=1S/C12H19N3O2S/c13-9-4-10-15(12-5-2-1-3-6-12)18(16,17)14-11-7-8-11/h1-3,5-6,11,14H,4,7-10,13H2
InChIKeyYIUDOWWFJHQMOX-UHFFFAOYSA-N
XLogP0.84
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-aminopropyl(sulfamoyl)amino]benzene
CID 115580045
N-(3-aminopropyl)-1,1-difluoro-N-phenylmethanesulfonamide
CID 43135974
N'-(diethylsulfamoyl)-N'-phenylpropane-1,3-diamine
CID 43135973
3-[N-(cyclopropylsulfamoyl)-2-methylanilino]propanoic acid
CID 114533536
1-[3-aminopropyl(2-methylpropylsulfamoyl)amino]-4-fluorobenzene
CID 114813771
1-(3-aminopropyl)-3-cyclohexyl-1-phenylurea
CID 16783058
1-[3-aminopropyl(ethylsulfamoyl)amino]-3-fluorobenzene
CID 114803403
N-(3-aminopropyl)-1-cyclopropyl-N-(3-methylphenyl)methanesulfonamide
CID 64989721
[methyl-[[4-(methylamino)cyclohexyl]sulfamoyl]amino]methylbenzene
CID 79118112
3-[[3-aminopropyl(methyl)sulfamoyl]amino]oxolane
CID 80716322
1-[3-aminopropyl(tert-butylsulfamoyl)amino]-3-methoxybenzene
CID 114803421
N'-(oxan-4-yl)-N'-phenylpropane-1,3-diamine
CID 63935814

Frequently Asked Questions

What is the IUPAC name of [3-aminopropyl(cyclopropylsulfamoyl)amino]benzene?
The IUPAC name of [3-aminopropyl(cyclopropylsulfamoyl)amino]benzene (CID 114803326) is [3-aminopropyl(cyclopropylsulfamoyl)amino]benzene.
What is the SMILES notation for [3-aminopropyl(cyclopropylsulfamoyl)amino]benzene?
The canonical SMILES for [3-aminopropyl(cyclopropylsulfamoyl)amino]benzene is NCCCN(c1ccccc1)S(=O)(=O)NC1CC1.
What is the InChIKey of [3-aminopropyl(cyclopropylsulfamoyl)amino]benzene?
The InChIKey is YIUDOWWFJHQMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c13-9-4-10-15(12-5-2-1-3-6-12)18(16,17)14-11-7-8-11/h1-3,5-6,11,14H,4,7-10,13H2.
What are the key properties of [3-aminopropyl(cyclopropylsulfamoyl)amino]benzene?
[3-aminopropyl(cyclopropylsulfamoyl)amino]benzene has a molecular weight of 269.37 g/mol, XLogP of 0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-aminopropyl(cyclopropylsulfamoyl)amino]benzene is sourced from PubChem (CID 114803326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).