2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]hexanoic acid

C13H24N2O5S — CID 43469728

IUPAC2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]hexanoic acid
SMILESCCCCC(NC(=O)C1CCCN(S(C)(=O)=O)C1)C(=O)O
InChIInChI=1S/C13H24N2O5S/c1-3-4-7-11(13(17)18)14-12(16)10-6-5-8-15(9-10)21(2,19)20/h10-11H,3-9H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyWWXSGTIKZYHGKJ-UHFFFAOYSA-N
MW320.41 g/mol
LogP0.42
Rot. Bonds7

About 2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]hexanoic acid

2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]hexanoic acid (PubChem CID 43469728) has the molecular formula C13H24N2O5S and a molecular weight of 320.41 g/mol. Its IUPAC name is 2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]hexanoic acid
PubChem CID43469728
Molecular FormulaC13H24N2O5S
Molecular Weight320.41 g/mol
Exact Mass320.14
IUPAC Name2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]hexanoic acid
SMILESCCCCC(NC(=O)C1CCCN(S(C)(=O)=O)C1)C(=O)O
InChIInChI=1S/C13H24N2O5S/c1-3-4-7-11(13(17)18)14-12(16)10-6-5-8-15(9-10)21(2,19)20/h10-11H,3-9H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyWWXSGTIKZYHGKJ-UHFFFAOYSA-N
XLogP0.42
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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 2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]hexanoic acid?
The IUPAC name of 2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]hexanoic acid (CID 43469728) is 2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]hexanoic acid?
The canonical SMILES for 2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]hexanoic acid is CCCCC(NC(=O)C1CCCN(S(C)(=O)=O)C1)C(=O)O.
What is the InChIKey of 2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]hexanoic acid?
The InChIKey is WWXSGTIKZYHGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5S/c1-3-4-7-11(13(17)18)14-12(16)10-6-5-8-15(9-10)21(2,19)20/h10-11H,3-9H2,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]hexanoic acid?
2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]hexanoic acid has a molecular weight of 320.41 g/mol, XLogP of 0.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 43469728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).