1-(dimethylsulfamoylamino)-3-methyl-2-oxobutane

C7H16N2O3S — CID 64996112

IUPAC1-(dimethylsulfamoylamino)-3-methyl-2-oxobutane
SMILESCC(C)C(=O)CNS(=O)(=O)N(C)C
InChIInChI=1S/C7H16N2O3S/c1-6(2)7(10)5-8-13(11,12)9(3)4/h6,8H,5H2,1-4H3
InChIKeyODTOXCWDFJMSAZ-UHFFFAOYSA-N
MW208.28 g/mol
LogP-0.39
Rot. Bonds5

About 1-(dimethylsulfamoylamino)-3-methyl-2-oxobutane

1-(dimethylsulfamoylamino)-3-methyl-2-oxobutane (PubChem CID 64996112) has the molecular formula C7H16N2O3S and a molecular weight of 208.28 g/mol. Its IUPAC name is 1-(dimethylsulfamoylamino)-3-methyl-2-oxobutane.

Molecular Properties

Compound Name1-(dimethylsulfamoylamino)-3-methyl-2-oxobutane
PubChem CID64996112
Molecular FormulaC7H16N2O3S
Molecular Weight208.28 g/mol
Exact Mass208.09
IUPAC Name1-(dimethylsulfamoylamino)-3-methyl-2-oxobutane
SMILESCC(C)C(=O)CNS(=O)(=O)N(C)C
InChIInChI=1S/C7H16N2O3S/c1-6(2)7(10)5-8-13(11,12)9(3)4/h6,8H,5H2,1-4H3
InChIKeyODTOXCWDFJMSAZ-UHFFFAOYSA-N
XLogP-0.39
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylsulfamoylamino)-3-methyl-2-oxobutane?
The IUPAC name of 1-(dimethylsulfamoylamino)-3-methyl-2-oxobutane (CID 64996112) is 1-(dimethylsulfamoylamino)-3-methyl-2-oxobutane.
What is the SMILES notation for 1-(dimethylsulfamoylamino)-3-methyl-2-oxobutane?
The canonical SMILES for 1-(dimethylsulfamoylamino)-3-methyl-2-oxobutane is CC(C)C(=O)CNS(=O)(=O)N(C)C.
What is the InChIKey of 1-(dimethylsulfamoylamino)-3-methyl-2-oxobutane?
The InChIKey is ODTOXCWDFJMSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3S/c1-6(2)7(10)5-8-13(11,12)9(3)4/h6,8H,5H2,1-4H3.
What are the key properties of 1-(dimethylsulfamoylamino)-3-methyl-2-oxobutane?
1-(dimethylsulfamoylamino)-3-methyl-2-oxobutane has a molecular weight of 208.28 g/mol, XLogP of -0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylsulfamoylamino)-3-methyl-2-oxobutane is sourced from PubChem (CID 64996112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).