1-(dimethylsulfamoylamino)-3-methylbutane

C7H18N2O2S — CID 4635591

IUPAC1-(dimethylsulfamoylamino)-3-methylbutane
SMILESCC(C)CCNS(=O)(=O)N(C)C
InChIInChI=1S/C7H18N2O2S/c1-7(2)5-6-8-12(10,11)9(3)4/h7-8H,5-6H2,1-4H3
InChIKeyIBBREHIBDUILEN-UHFFFAOYSA-N
MW194.30 g/mol
LogP0.43
Rot. Bonds5

About 1-(dimethylsulfamoylamino)-3-methylbutane

1-(dimethylsulfamoylamino)-3-methylbutane (PubChem CID 4635591) has the molecular formula C7H18N2O2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 1-(dimethylsulfamoylamino)-3-methylbutane.

Molecular Properties

Compound Name1-(dimethylsulfamoylamino)-3-methylbutane
PubChem CID4635591
Molecular FormulaC7H18N2O2S
Molecular Weight194.30 g/mol
Exact Mass194.11
IUPAC Name1-(dimethylsulfamoylamino)-3-methylbutane
SMILESCC(C)CCNS(=O)(=O)N(C)C
InChIInChI=1S/C7H18N2O2S/c1-7(2)5-6-8-12(10,11)9(3)4/h7-8H,5-6H2,1-4H3
InChIKeyIBBREHIBDUILEN-UHFFFAOYSA-N
XLogP0.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Fluoro-3-methyl-1-[methyl(methylsulfamoyl)amino]butane
CID 155929424
3-methyl-N-(3-methylbutylsulfamoyl)butan-1-amine
CID 102243142
N'-isobutyl-N,N-dimethylsulfamide
CID 3564563
1-(Diethylsulfamoylamino)butane
CID 86256197
1-(Dimethylsulfamoylamino)butane
CID 3523339
Bis(3-methylbutylazanium);sulfate
CID 20836350
1-(Dimethylsulfamoylamino)-4-methylpentane
CID 21021023
3-Methyl-1-(sulfamoylamino)butane
CID 21345371
3-methyl-N-(propan-2-ylsulfamoyl)butan-1-amine
CID 22966184
3,3-Dimethyl-1-(sulfamoylamino)butane
CID 57664623
(2R)-2-(dimethylsulfamoylamino)-3-methylbutane
CID 58679586
(2R)-2-(dimethylsulfamoylamino)-4-methylpentane
CID 58923230

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylsulfamoylamino)-3-methylbutane?
The IUPAC name of 1-(dimethylsulfamoylamino)-3-methylbutane (CID 4635591) is 1-(dimethylsulfamoylamino)-3-methylbutane.
What is the SMILES notation for 1-(dimethylsulfamoylamino)-3-methylbutane?
The canonical SMILES for 1-(dimethylsulfamoylamino)-3-methylbutane is CC(C)CCNS(=O)(=O)N(C)C.
What is the InChIKey of 1-(dimethylsulfamoylamino)-3-methylbutane?
The InChIKey is IBBREHIBDUILEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O2S/c1-7(2)5-6-8-12(10,11)9(3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of 1-(dimethylsulfamoylamino)-3-methylbutane?
1-(dimethylsulfamoylamino)-3-methylbutane has a molecular weight of 194.30 g/mol, XLogP of 0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylsulfamoylamino)-3-methylbutane is sourced from PubChem (CID 4635591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).