1-(diethylsulfamoylamino)butane

C8H20N2O2S — CID 86256197

IUPAC1-(diethylsulfamoylamino)butane
SMILESCCCCNS(=O)(=O)N(CC)CC
InChIInChI=1S/C8H20N2O2S/c1-4-7-8-9-13(11,12)10(5-2)6-3/h9H,4-8H2,1-3H3
InChIKeyQINRUWZTDNDJFG-UHFFFAOYSA-N
MW208.33 g/mol
LogP0.96
Rot. Bonds7

About 1-(diethylsulfamoylamino)butane

1-(diethylsulfamoylamino)butane (PubChem CID 86256197) has the molecular formula C8H20N2O2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 1-(diethylsulfamoylamino)butane.

Molecular Properties

Compound Name1-(diethylsulfamoylamino)butane
PubChem CID86256197
Molecular FormulaC8H20N2O2S
Molecular Weight208.33 g/mol
Exact Mass208.12
IUPAC Name1-(diethylsulfamoylamino)butane
SMILESCCCCNS(=O)(=O)N(CC)CC
InChIInChI=1S/C8H20N2O2S/c1-4-7-8-9-13(11,12)10(5-2)6-3/h9H,4-8H2,1-3H3
InChIKeyQINRUWZTDNDJFG-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

Computed Properties (RDKit)

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

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Related Compounds

N,N'-Dibutylsulphamide
CID 69809
(Dibutylsulfamoyl)amine
CID 15569632
1-(3-Aminopropylamino)-4-[3-(sulfamoylamino)propylamino]butane
CID 87739643
Dibutylazanium;hydron;sulfate
CID 57494691
Di-n-butyl ammonium chlorosulfonate
CID 129832691
butylazanium;N-butylsulfamate
CID 134895769
1-(Dibutylsulfamoylamino)hexane
CID 134984427
Dibutylazanium sulfate
CID 139597659
[(Hexylamino)sulfonyl]dimethylamine
CID 3637328
1-(Dimethylsulfamoylamino)butane
CID 3523339
1-(Dimethylsulfamoylamino)propane
CID 4474211
1-[Methylsulfamoyl(propyl)amino]propane
CID 22273216

Frequently Asked Questions

What is the IUPAC name of 1-(diethylsulfamoylamino)butane?
The IUPAC name of 1-(diethylsulfamoylamino)butane (CID 86256197) is 1-(diethylsulfamoylamino)butane.
What is the SMILES notation for 1-(diethylsulfamoylamino)butane?
The canonical SMILES for 1-(diethylsulfamoylamino)butane is CCCCNS(=O)(=O)N(CC)CC.
What is the InChIKey of 1-(diethylsulfamoylamino)butane?
The InChIKey is QINRUWZTDNDJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O2S/c1-4-7-8-9-13(11,12)10(5-2)6-3/h9H,4-8H2,1-3H3.
What are the key properties of 1-(diethylsulfamoylamino)butane?
1-(diethylsulfamoylamino)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-(diethylsulfamoylamino)butane is sourced from PubChem (CID 86256197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).