3-[[cyclopropyl(methyl)sulfamoyl]amino]propylbenzene

C13H20N2O2S — CID 75372465

IUPAC3-[[cyclopropyl(methyl)sulfamoyl]amino]propylbenzene
SMILESCN(C1CC1)S(=O)(=O)NCCCc1ccccc1
InChIInChI=1S/C13H20N2O2S/c1-15(13-9-10-13)18(16,17)14-11-5-8-12-6-3-2-4-7-12/h2-4,6-7,13-14H,5,8-11H2,1H3
InChIKeyMNYXZKJTLSYMOP-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.55
Rot. Bonds7

About 3-[[cyclopropyl(methyl)sulfamoyl]amino]propylbenzene

3-[[cyclopropyl(methyl)sulfamoyl]amino]propylbenzene (PubChem CID 75372465) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 3-[[cyclopropyl(methyl)sulfamoyl]amino]propylbenzene.

Molecular Properties

Compound Name3-[[cyclopropyl(methyl)sulfamoyl]amino]propylbenzene
PubChem CID75372465
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name3-[[cyclopropyl(methyl)sulfamoyl]amino]propylbenzene
SMILESCN(C1CC1)S(=O)(=O)NCCCc1ccccc1
InChIInChI=1S/C13H20N2O2S/c1-15(13-9-10-13)18(16,17)14-11-5-8-12-6-3-2-4-7-12/h2-4,6-7,13-14H,5,8-11H2,1H3
InChIKeyMNYXZKJTLSYMOP-UHFFFAOYSA-N
XLogP1.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[methyl-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]cyclohexyl]sulfamoyl]amino]ethylbenzene
CID 69199802
4-N-cyclopropyl-1-N-(3-phenylpropyl)benzene-1,4-disulfonamide
CID 134060499
N-(hydroxy-methylidene-oxo-λ6-sulfanyl)-3-phenylpropan-1-amine
CID 91087492
3-[4-[[[cyclobutyl(methyl)sulfamoyl]amino]methyl]phenyl]propanoic acid
CID 167934288
N-[2-(dimethylsulfamoylamino)ethyl]-N-(3-phenylpropyl)acetamide
CID 113056474
1-[3-(dimethylsulfamoylamino)propyl]-3-hydroxybenzene
CID 110667288
N-[2-(3-phenylpropylamino)ethyl]methanesulfonamide
CID 40718580
[5-hydroxypentylsulfamoyl(methyl)amino]cyclohexane
CID 107319547
2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethylbenzene
CID 106060187
N-[2-(3-phenylpropylamino)cyclohexyl]methanesulfonamide
CID 140580794
[5-hydroxypentylsulfamoyl(methyl)amino]methylbenzene
CID 107319507
2-(methylamino)-N-(3-phenylpropyl)benzenesulfonamide
CID 62145986

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopropyl(methyl)sulfamoyl]amino]propylbenzene?
The IUPAC name of 3-[[cyclopropyl(methyl)sulfamoyl]amino]propylbenzene (CID 75372465) is 3-[[cyclopropyl(methyl)sulfamoyl]amino]propylbenzene.
What is the SMILES notation for 3-[[cyclopropyl(methyl)sulfamoyl]amino]propylbenzene?
The canonical SMILES for 3-[[cyclopropyl(methyl)sulfamoyl]amino]propylbenzene is CN(C1CC1)S(=O)(=O)NCCCc1ccccc1.
What is the InChIKey of 3-[[cyclopropyl(methyl)sulfamoyl]amino]propylbenzene?
The InChIKey is MNYXZKJTLSYMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-15(13-9-10-13)18(16,17)14-11-5-8-12-6-3-2-4-7-12/h2-4,6-7,13-14H,5,8-11H2,1H3.
What are the key properties of 3-[[cyclopropyl(methyl)sulfamoyl]amino]propylbenzene?
3-[[cyclopropyl(methyl)sulfamoyl]amino]propylbenzene has a molecular weight of 268.38 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopropyl(methyl)sulfamoyl]amino]propylbenzene is sourced from PubChem (CID 75372465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).