2-(methanesulfonamido)-4-methylpentanoic acid

C7H15NO4S — CID 4961715

IUPAC2-(methanesulfonamido)-4-methylpentanoic acid
SMILESCC(C)CC(NS(C)(=O)=O)C(=O)O
InChIInChI=1S/C7H15NO4S/c1-5(2)4-6(7(9)10)8-13(3,11)12/h5-6,8H,4H2,1-3H3,(H,9,10)
InChIKeyVEVSBWQOQMQCNE-UHFFFAOYSA-N
MW209.27 g/mol
LogP0.03
Rot. Bonds5

About 2-(methanesulfonamido)-4-methylpentanoic acid

2-(methanesulfonamido)-4-methylpentanoic acid (PubChem CID 4961715) has the molecular formula C7H15NO4S and a molecular weight of 209.27 g/mol. Its IUPAC name is 2-(methanesulfonamido)-4-methylpentanoic acid.

Molecular Properties

Compound Name2-(methanesulfonamido)-4-methylpentanoic acid
PubChem CID4961715
Molecular FormulaC7H15NO4S
Molecular Weight209.27 g/mol
Exact Mass209.07
IUPAC Name2-(methanesulfonamido)-4-methylpentanoic acid
SMILESCC(C)CC(NS(C)(=O)=O)C(=O)O
InChIInChI=1S/C7H15NO4S/c1-5(2)4-6(7(9)10)8-13(3,11)12/h5-6,8H,4H2,1-3H3,(H,9,10)
InChIKeyVEVSBWQOQMQCNE-UHFFFAOYSA-N
XLogP0.03
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methanesulfonamido)-4-methylpentanoic acid?
The IUPAC name of 2-(methanesulfonamido)-4-methylpentanoic acid (CID 4961715) is 2-(methanesulfonamido)-4-methylpentanoic acid.
What is the SMILES notation for 2-(methanesulfonamido)-4-methylpentanoic acid?
The canonical SMILES for 2-(methanesulfonamido)-4-methylpentanoic acid is CC(C)CC(NS(C)(=O)=O)C(=O)O.
What is the InChIKey of 2-(methanesulfonamido)-4-methylpentanoic acid?
The InChIKey is VEVSBWQOQMQCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4S/c1-5(2)4-6(7(9)10)8-13(3,11)12/h5-6,8H,4H2,1-3H3,(H,9,10).
What are the key properties of 2-(methanesulfonamido)-4-methylpentanoic acid?
2-(methanesulfonamido)-4-methylpentanoic acid has a molecular weight of 209.27 g/mol, XLogP of 0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methanesulfonamido)-4-methylpentanoic acid is sourced from PubChem (CID 4961715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).