1-[butyl(sulfamoyl)amino]butane;methane

C9H24N2O2S — CID 23202414

IUPAC1-[butyl(sulfamoyl)amino]butane;methane
SMILESC.CCCCN(CCCC)S(N)(=O)=O
InChIInChI=1S/C8H20N2O2S.CH4/c1-3-5-7-10(8-6-4-2)13(9,11)12;/h3-8H2,1-2H3,(H2,9,11,12);1H4
InChIKeyDOVKLJQDAKJHOK-UHFFFAOYSA-N
MW224.37 g/mol
LogP1.73
Rot. Bonds7

About 1-[butyl(sulfamoyl)amino]butane;methane

1-[butyl(sulfamoyl)amino]butane;methane (PubChem CID 23202414) has the molecular formula C9H24N2O2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 1-[butyl(sulfamoyl)amino]butane;methane.

Molecular Properties

Compound Name1-[butyl(sulfamoyl)amino]butane;methane
PubChem CID23202414
Molecular FormulaC9H24N2O2S
Molecular Weight224.37 g/mol
Exact Mass224.16
IUPAC Name1-[butyl(sulfamoyl)amino]butane;methane
SMILESC.CCCCN(CCCC)S(N)(=O)=O
InChIInChI=1S/C8H20N2O2S.CH4/c1-3-5-7-10(8-6-4-2)13(9,11)12;/h3-8H2,1-2H3,(H2,9,11,12);1H4
InChIKeyDOVKLJQDAKJHOK-UHFFFAOYSA-N
XLogP1.73
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N,N',N'-Tetraethylsulfamide
CID 137739
N,N-dipropylsulfamide
CID 20184392
N-(dipropylsulfamoyl)-N-propylpropan-1-amine
CID 44424363
N,N-dibutylsulfamoyl chloride
CID 3815528
(Dibutylsulfamoyl)amine
CID 15569632
Tetrabutylammonium sulfamate
CID 16218635
N,N-diisobutylsulfamide
CID 44381123
N,N,N'''',N''''-Tetrabutylsulfamide
CID 44424364
Dibutylsulfamic acid
CID 301003
(Methyl(propyl)sulfamoyl)amine
CID 43271536
1-[Dibutyl(sulfonato)azaniumyl]butane
CID 139189624
1-(Diethylsulfamoylamino)butane
CID 86256197

Frequently Asked Questions

What is the IUPAC name of 1-[butyl(sulfamoyl)amino]butane;methane?
The IUPAC name of 1-[butyl(sulfamoyl)amino]butane;methane (CID 23202414) is 1-[butyl(sulfamoyl)amino]butane;methane.
What is the SMILES notation for 1-[butyl(sulfamoyl)amino]butane;methane?
The canonical SMILES for 1-[butyl(sulfamoyl)amino]butane;methane is C.CCCCN(CCCC)S(N)(=O)=O.
What is the InChIKey of 1-[butyl(sulfamoyl)amino]butane;methane?
The InChIKey is DOVKLJQDAKJHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O2S.CH4/c1-3-5-7-10(8-6-4-2)13(9,11)12;/h3-8H2,1-2H3,(H2,9,11,12);1H4.
What are the key properties of 1-[butyl(sulfamoyl)amino]butane;methane?
1-[butyl(sulfamoyl)amino]butane;methane has a molecular weight of 224.37 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[butyl(sulfamoyl)amino]butane;methane is sourced from PubChem (CID 23202414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).