3-(methanesulfonamido)-3-methylbutanamide

C6H14N2O3S — CID 104600907

IUPAC3-(methanesulfonamido)-3-methylbutanamide
SMILESCC(C)(CC(N)=O)NS(C)(=O)=O
InChIInChI=1S/C6H14N2O3S/c1-6(2,4-5(7)9)8-12(3,10)11/h8H,4H2,1-3H3,(H2,7,9)
InChIKeyIMKKOKLQBRUNLB-UHFFFAOYSA-N
MW194.26 g/mol
LogP-0.81
Rot. Bonds4

About 3-(methanesulfonamido)-3-methylbutanamide

3-(methanesulfonamido)-3-methylbutanamide (PubChem CID 104600907) has the molecular formula C6H14N2O3S and a molecular weight of 194.26 g/mol. Its IUPAC name is 3-(methanesulfonamido)-3-methylbutanamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-3-methylbutanamide
PubChem CID104600907
Molecular FormulaC6H14N2O3S
Molecular Weight194.26 g/mol
Exact Mass194.07
IUPAC Name3-(methanesulfonamido)-3-methylbutanamide
SMILESCC(C)(CC(N)=O)NS(C)(=O)=O
InChIInChI=1S/C6H14N2O3S/c1-6(2,4-5(7)9)8-12(3,10)11/h8H,4H2,1-3H3,(H2,7,9)
InChIKeyIMKKOKLQBRUNLB-UHFFFAOYSA-N
XLogP-0.81
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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 ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-3-methylbutanamide?
The IUPAC name of 3-(methanesulfonamido)-3-methylbutanamide (CID 104600907) is 3-(methanesulfonamido)-3-methylbutanamide.
What is the SMILES notation for 3-(methanesulfonamido)-3-methylbutanamide?
The canonical SMILES for 3-(methanesulfonamido)-3-methylbutanamide is CC(C)(CC(N)=O)NS(C)(=O)=O.
What is the InChIKey of 3-(methanesulfonamido)-3-methylbutanamide?
The InChIKey is IMKKOKLQBRUNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O3S/c1-6(2,4-5(7)9)8-12(3,10)11/h8H,4H2,1-3H3,(H2,7,9).
What are the key properties of 3-(methanesulfonamido)-3-methylbutanamide?
3-(methanesulfonamido)-3-methylbutanamide has a molecular weight of 194.26 g/mol, XLogP of -0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-3-methylbutanamide is sourced from PubChem (CID 104600907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).