1-[2-(methanesulfonamido)-4-methylpentanoyl]piperidine-2-carboxylic acid

C13H24N2O5S — CID 43356058

IUPAC1-[2-(methanesulfonamido)-4-methylpentanoyl]piperidine-2-carboxylic acid
SMILESCC(C)CC(NS(C)(=O)=O)C(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C13H24N2O5S/c1-9(2)8-10(14-21(3,19)20)12(16)15-7-5-4-6-11(15)13(17)18/h9-11,14H,4-8H2,1-3H3,(H,17,18)
InChIKeyLQUJRQVQPIOHQG-UHFFFAOYSA-N
MW320.41 g/mol
LogP0.42
Rot. Bonds6

About 1-[2-(methanesulfonamido)-4-methylpentanoyl]piperidine-2-carboxylic acid

1-[2-(methanesulfonamido)-4-methylpentanoyl]piperidine-2-carboxylic acid (PubChem CID 43356058) has the molecular formula C13H24N2O5S and a molecular weight of 320.41 g/mol. Its IUPAC name is 1-[2-(methanesulfonamido)-4-methylpentanoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(methanesulfonamido)-4-methylpentanoyl]piperidine-2-carboxylic acid
PubChem CID43356058
Molecular FormulaC13H24N2O5S
Molecular Weight320.41 g/mol
Exact Mass320.14
IUPAC Name1-[2-(methanesulfonamido)-4-methylpentanoyl]piperidine-2-carboxylic acid
SMILESCC(C)CC(NS(C)(=O)=O)C(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C13H24N2O5S/c1-9(2)8-10(14-21(3,19)20)12(16)15-7-5-4-6-11(15)13(17)18/h9-11,14H,4-8H2,1-3H3,(H,17,18)
InChIKeyLQUJRQVQPIOHQG-UHFFFAOYSA-N
XLogP0.42
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(methanesulfonamido)-4-methylpentanoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[2-(methanesulfonamido)-4-methylpentanoyl]piperidine-2-carboxylic acid (CID 43356058) is 1-[2-(methanesulfonamido)-4-methylpentanoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(methanesulfonamido)-4-methylpentanoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(methanesulfonamido)-4-methylpentanoyl]piperidine-2-carboxylic acid is CC(C)CC(NS(C)(=O)=O)C(=O)N1CCCCC1C(=O)O.
What is the InChIKey of 1-[2-(methanesulfonamido)-4-methylpentanoyl]piperidine-2-carboxylic acid?
The InChIKey is LQUJRQVQPIOHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5S/c1-9(2)8-10(14-21(3,19)20)12(16)15-7-5-4-6-11(15)13(17)18/h9-11,14H,4-8H2,1-3H3,(H,17,18).
What are the key properties of 1-[2-(methanesulfonamido)-4-methylpentanoyl]piperidine-2-carboxylic acid?
1-[2-(methanesulfonamido)-4-methylpentanoyl]piperidine-2-carboxylic acid has a molecular weight of 320.41 g/mol, XLogP of 0.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methanesulfonamido)-4-methylpentanoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 43356058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).