2,3-dimethyl-N-(methylsulfamoyl)butan-1-amine

C7H18N2O2S — CID 155138015

IUPAC2,3-dimethyl-N-(methylsulfamoyl)butan-1-amine
SMILESCNS(=O)(=O)NCC(C)C(C)C
InChIInChI=1S/C7H18N2O2S/c1-6(2)7(3)5-9-12(10,11)8-4/h6-9H,5H2,1-4H3
InChIKeyCHPHKRFRBWXWFC-UHFFFAOYSA-N
MW194.30 g/mol
LogP0.33
Rot. Bonds5

About 2,3-dimethyl-N-(methylsulfamoyl)butan-1-amine

2,3-dimethyl-N-(methylsulfamoyl)butan-1-amine (PubChem CID 155138015) has the molecular formula C7H18N2O2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 2,3-dimethyl-N-(methylsulfamoyl)butan-1-amine.

Molecular Properties

Compound Name2,3-dimethyl-N-(methylsulfamoyl)butan-1-amine
PubChem CID155138015
Molecular FormulaC7H18N2O2S
Molecular Weight194.30 g/mol
Exact Mass194.11
IUPAC Name2,3-dimethyl-N-(methylsulfamoyl)butan-1-amine
SMILESCNS(=O)(=O)NCC(C)C(C)C
InChIInChI=1S/C7H18N2O2S/c1-6(2)7(3)5-9-12(10,11)8-4/h6-9H,5H2,1-4H3
InChIKeyCHPHKRFRBWXWFC-UHFFFAOYSA-N
XLogP0.33
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-(methylsulfamoyl)butan-1-amine?
The IUPAC name of 2,3-dimethyl-N-(methylsulfamoyl)butan-1-amine (CID 155138015) is 2,3-dimethyl-N-(methylsulfamoyl)butan-1-amine.
What is the SMILES notation for 2,3-dimethyl-N-(methylsulfamoyl)butan-1-amine?
The canonical SMILES for 2,3-dimethyl-N-(methylsulfamoyl)butan-1-amine is CNS(=O)(=O)NCC(C)C(C)C.
What is the InChIKey of 2,3-dimethyl-N-(methylsulfamoyl)butan-1-amine?
The InChIKey is CHPHKRFRBWXWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O2S/c1-6(2)7(3)5-9-12(10,11)8-4/h6-9H,5H2,1-4H3.
What are the key properties of 2,3-dimethyl-N-(methylsulfamoyl)butan-1-amine?
2,3-dimethyl-N-(methylsulfamoyl)butan-1-amine has a molecular weight of 194.30 g/mol, XLogP of 0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-(methylsulfamoyl)butan-1-amine is sourced from PubChem (CID 155138015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).