3-amino-3-methyl-N-methylsulfonylbutanamide

C6H14N2O3S — CID 103287686

IUPAC3-amino-3-methyl-N-methylsulfonylbutanamide
SMILESCC(C)(N)CC(=O)NS(C)(=O)=O
InChIInChI=1S/C6H14N2O3S/c1-6(2,7)4-5(9)8-12(3,10)11/h4,7H2,1-3H3,(H,8,9)
InChIKeyRFWHDJVCIYJAFS-UHFFFAOYSA-N
MW194.26 g/mol
LogP-0.81
Rot. Bonds3

About 3-amino-3-methyl-N-methylsulfonylbutanamide

3-amino-3-methyl-N-methylsulfonylbutanamide (PubChem CID 103287686) has the molecular formula C6H14N2O3S and a molecular weight of 194.26 g/mol. Its IUPAC name is 3-amino-3-methyl-N-methylsulfonylbutanamide.

Molecular Properties

Compound Name3-amino-3-methyl-N-methylsulfonylbutanamide
PubChem CID103287686
Molecular FormulaC6H14N2O3S
Molecular Weight194.26 g/mol
Exact Mass194.07
IUPAC Name3-amino-3-methyl-N-methylsulfonylbutanamide
SMILESCC(C)(N)CC(=O)NS(C)(=O)=O
InChIInChI=1S/C6H14N2O3S/c1-6(2,7)4-5(9)8-12(3,10)11/h4,7H2,1-3H3,(H,8,9)
InChIKeyRFWHDJVCIYJAFS-UHFFFAOYSA-N
XLogP-0.81
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methyl-N-methylsulfonylbutanamide?
The IUPAC name of 3-amino-3-methyl-N-methylsulfonylbutanamide (CID 103287686) is 3-amino-3-methyl-N-methylsulfonylbutanamide.
What is the SMILES notation for 3-amino-3-methyl-N-methylsulfonylbutanamide?
The canonical SMILES for 3-amino-3-methyl-N-methylsulfonylbutanamide is CC(C)(N)CC(=O)NS(C)(=O)=O.
What is the InChIKey of 3-amino-3-methyl-N-methylsulfonylbutanamide?
The InChIKey is RFWHDJVCIYJAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O3S/c1-6(2,7)4-5(9)8-12(3,10)11/h4,7H2,1-3H3,(H,8,9).
What are the key properties of 3-amino-3-methyl-N-methylsulfonylbutanamide?
3-amino-3-methyl-N-methylsulfonylbutanamide has a molecular weight of 194.26 g/mol, XLogP of -0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-methyl-N-methylsulfonylbutanamide is sourced from PubChem (CID 103287686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).