3-(methanesulfonamido)-2,2,3-trimethylbutanoic acid

C8H17NO4S — CID 65266501

IUPAC3-(methanesulfonamido)-2,2,3-trimethylbutanoic acid
SMILESCC(C)(NS(C)(=O)=O)C(C)(C)C(=O)O
InChIInChI=1S/C8H17NO4S/c1-7(2,6(10)11)8(3,4)9-14(5,12)13/h9H,1-5H3,(H,10,11)
InChIKeyXRABMRIXHOOCNL-UHFFFAOYSA-N
MW223.29 g/mol
LogP0.43
Rot. Bonds4

About 3-(methanesulfonamido)-2,2,3-trimethylbutanoic acid

3-(methanesulfonamido)-2,2,3-trimethylbutanoic acid (PubChem CID 65266501) has the molecular formula C8H17NO4S and a molecular weight of 223.29 g/mol. Its IUPAC name is 3-(methanesulfonamido)-2,2,3-trimethylbutanoic acid.

Molecular Properties

Compound Name3-(methanesulfonamido)-2,2,3-trimethylbutanoic acid
PubChem CID65266501
Molecular FormulaC8H17NO4S
Molecular Weight223.29 g/mol
Exact Mass223.09
IUPAC Name3-(methanesulfonamido)-2,2,3-trimethylbutanoic acid
SMILESCC(C)(NS(C)(=O)=O)C(C)(C)C(=O)O
InChIInChI=1S/C8H17NO4S/c1-7(2,6(10)11)8(3,4)9-14(5,12)13/h9H,1-5H3,(H,10,11)
InChIKeyXRABMRIXHOOCNL-UHFFFAOYSA-N
XLogP0.43
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-2,2,3-trimethylbutanoic acid?
The IUPAC name of 3-(methanesulfonamido)-2,2,3-trimethylbutanoic acid (CID 65266501) is 3-(methanesulfonamido)-2,2,3-trimethylbutanoic acid.
What is the SMILES notation for 3-(methanesulfonamido)-2,2,3-trimethylbutanoic acid?
The canonical SMILES for 3-(methanesulfonamido)-2,2,3-trimethylbutanoic acid is CC(C)(NS(C)(=O)=O)C(C)(C)C(=O)O.
What is the InChIKey of 3-(methanesulfonamido)-2,2,3-trimethylbutanoic acid?
The InChIKey is XRABMRIXHOOCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4S/c1-7(2,6(10)11)8(3,4)9-14(5,12)13/h9H,1-5H3,(H,10,11).
What are the key properties of 3-(methanesulfonamido)-2,2,3-trimethylbutanoic acid?
3-(methanesulfonamido)-2,2,3-trimethylbutanoic acid has a molecular weight of 223.29 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-2,2,3-trimethylbutanoic acid is sourced from PubChem (CID 65266501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).