N-(dimethylsulfamoyl)-3-methylbutanamide

C7H16N2O3S — CID 47363110

IUPACN-(dimethylsulfamoyl)-3-methylbutanamide
SMILESCC(C)CC(=O)NS(=O)(=O)N(C)C
InChIInChI=1S/C7H16N2O3S/c1-6(2)5-7(10)8-13(11,12)9(3)4/h6H,5H2,1-4H3,(H,8,10)
InChIKeyBKQHWTPOZAXVIP-UHFFFAOYSA-N
MW208.28 g/mol
LogP-0.04
Rot. Bonds4

About N-(dimethylsulfamoyl)-3-methylbutanamide

N-(dimethylsulfamoyl)-3-methylbutanamide (PubChem CID 47363110) has the molecular formula C7H16N2O3S and a molecular weight of 208.28 g/mol. Its IUPAC name is N-(dimethylsulfamoyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(dimethylsulfamoyl)-3-methylbutanamide
PubChem CID47363110
Molecular FormulaC7H16N2O3S
Molecular Weight208.28 g/mol
Exact Mass208.09
IUPAC NameN-(dimethylsulfamoyl)-3-methylbutanamide
SMILESCC(C)CC(=O)NS(=O)(=O)N(C)C
InChIInChI=1S/C7H16N2O3S/c1-6(2)5-7(10)8-13(11,12)9(3)4/h6H,5H2,1-4H3,(H,8,10)
InChIKeyBKQHWTPOZAXVIP-UHFFFAOYSA-N
XLogP-0.04
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(dimethylsulfamoyl)-3-methylbutanamide?
The IUPAC name of N-(dimethylsulfamoyl)-3-methylbutanamide (CID 47363110) is N-(dimethylsulfamoyl)-3-methylbutanamide.
What is the SMILES notation for N-(dimethylsulfamoyl)-3-methylbutanamide?
The canonical SMILES for N-(dimethylsulfamoyl)-3-methylbutanamide is CC(C)CC(=O)NS(=O)(=O)N(C)C.
What is the InChIKey of N-(dimethylsulfamoyl)-3-methylbutanamide?
The InChIKey is BKQHWTPOZAXVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3S/c1-6(2)5-7(10)8-13(11,12)9(3)4/h6H,5H2,1-4H3,(H,8,10).
What are the key properties of N-(dimethylsulfamoyl)-3-methylbutanamide?
N-(dimethylsulfamoyl)-3-methylbutanamide has a molecular weight of 208.28 g/mol, XLogP of -0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dimethylsulfamoyl)-3-methylbutanamide is sourced from PubChem (CID 47363110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).