1-[methyl(propylsulfamoyl)amino]butane

C8H20N2O2S — CID 43247511

IUPAC1-[methyl(propylsulfamoyl)amino]butane
SMILESCCCCN(C)S(=O)(=O)NCCC
InChIInChI=1S/C8H20N2O2S/c1-4-6-8-10(3)13(11,12)9-7-5-2/h9H,4-8H2,1-3H3
InChIKeyLJXRFZIEXARNEC-UHFFFAOYSA-N
MW208.33 g/mol
LogP0.96
Rot. Bonds7

About 1-[methyl(propylsulfamoyl)amino]butane

1-[methyl(propylsulfamoyl)amino]butane (PubChem CID 43247511) has the molecular formula C8H20N2O2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 1-[methyl(propylsulfamoyl)amino]butane.

Molecular Properties

Compound Name1-[methyl(propylsulfamoyl)amino]butane
PubChem CID43247511
Molecular FormulaC8H20N2O2S
Molecular Weight208.33 g/mol
Exact Mass208.12
IUPAC Name1-[methyl(propylsulfamoyl)amino]butane
SMILESCCCCN(C)S(=O)(=O)NCCC
InChIInChI=1S/C8H20N2O2S/c1-4-6-8-10(3)13(11,12)9-7-5-2/h9H,4-8H2,1-3H3
InChIKeyLJXRFZIEXARNEC-UHFFFAOYSA-N
XLogP0.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-Dibutylsulphamide
CID 69809
N-[3-(dimethylamino)propylsulfamoyl]-N',N'-dimethylpropane-1,3-diamine
CID 53316867
(Dibutylsulfamoyl)amine
CID 15569632
1-(3-Aminopropylamino)-4-[3-(sulfamoylamino)propylamino]butane
CID 87739643
Dibutylazanium;hydron;sulfate
CID 57494691
1-(Diethylsulfamoylamino)butane
CID 86256197
Di-n-butyl ammonium chlorosulfonate
CID 129832691
butylazanium;N-butylsulfamate
CID 134895769
1-(Dibutylsulfamoylamino)hexane
CID 134984427
4-[[3-Aminopropyl(methyl)sulfamoyl]amino]-1,1,1-trifluorobutane
CID 113327230
Dibutylazanium sulfate
CID 139597659
[(Hexylamino)sulfonyl]dimethylamine
CID 3637328

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(propylsulfamoyl)amino]butane?
The IUPAC name of 1-[methyl(propylsulfamoyl)amino]butane (CID 43247511) is 1-[methyl(propylsulfamoyl)amino]butane.
What is the SMILES notation for 1-[methyl(propylsulfamoyl)amino]butane?
The canonical SMILES for 1-[methyl(propylsulfamoyl)amino]butane is CCCCN(C)S(=O)(=O)NCCC.
What is the InChIKey of 1-[methyl(propylsulfamoyl)amino]butane?
The InChIKey is LJXRFZIEXARNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O2S/c1-4-6-8-10(3)13(11,12)9-7-5-2/h9H,4-8H2,1-3H3.
What are the key properties of 1-[methyl(propylsulfamoyl)amino]butane?
1-[methyl(propylsulfamoyl)amino]butane has a molecular weight of 208.33 g/mol, XLogP of 0.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(propylsulfamoyl)amino]butane is sourced from PubChem (CID 43247511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).