3-methyl-1-[methyl(sulfamoyl)amino]butane

C6H16N2O2S — CID 61067614

IUPAC3-methyl-1-[methyl(sulfamoyl)amino]butane
SMILESCC(C)CCN(C)S(N)(=O)=O
InChIInChI=1S/C6H16N2O2S/c1-6(2)4-5-8(3)11(7,9)10/h6H,4-5H2,1-3H3,(H2,7,9,10)
InChIKeyNZMHWEWKZLQFBP-UHFFFAOYSA-N
MW180.27 g/mol
LogP0.17
Rot. Bonds4

About 3-methyl-1-[methyl(sulfamoyl)amino]butane

3-methyl-1-[methyl(sulfamoyl)amino]butane (PubChem CID 61067614) has the molecular formula C6H16N2O2S and a molecular weight of 180.27 g/mol. Its IUPAC name is 3-methyl-1-[methyl(sulfamoyl)amino]butane.

Molecular Properties

Compound Name3-methyl-1-[methyl(sulfamoyl)amino]butane
PubChem CID61067614
Molecular FormulaC6H16N2O2S
Molecular Weight180.27 g/mol
Exact Mass180.09
IUPAC Name3-methyl-1-[methyl(sulfamoyl)amino]butane
SMILESCC(C)CCN(C)S(N)(=O)=O
InChIInChI=1S/C6H16N2O2S/c1-6(2)4-5-8(3)11(7,9)10/h6H,4-5H2,1-3H3,(H2,7,9,10)
InChIKeyNZMHWEWKZLQFBP-UHFFFAOYSA-N
XLogP0.17
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[methyl(sulfamoyl)amino]butane?
The IUPAC name of 3-methyl-1-[methyl(sulfamoyl)amino]butane (CID 61067614) is 3-methyl-1-[methyl(sulfamoyl)amino]butane.
What is the SMILES notation for 3-methyl-1-[methyl(sulfamoyl)amino]butane?
The canonical SMILES for 3-methyl-1-[methyl(sulfamoyl)amino]butane is CC(C)CCN(C)S(N)(=O)=O.
What is the InChIKey of 3-methyl-1-[methyl(sulfamoyl)amino]butane?
The InChIKey is NZMHWEWKZLQFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O2S/c1-6(2)4-5-8(3)11(7,9)10/h6H,4-5H2,1-3H3,(H2,7,9,10).
What are the key properties of 3-methyl-1-[methyl(sulfamoyl)amino]butane?
3-methyl-1-[methyl(sulfamoyl)amino]butane has a molecular weight of 180.27 g/mol, XLogP of 0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[methyl(sulfamoyl)amino]butane is sourced from PubChem (CID 61067614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).