(2S)-4-methyl-2-(piperidin-1-ylsulfonylamino)pentanoic acid

C11H22N2O4S — CID 28783947

IUPAC(2S)-4-methyl-2-(piperidin-1-ylsulfonylamino)pentanoic acid
SMILESCC(C)C[C@H](NS(=O)(=O)N1CCCCC1)C(=O)O
InChIInChI=1S/C11H22N2O4S/c1-9(2)8-10(11(14)15)12-18(16,17)13-6-4-3-5-7-13/h9-10,12H,3-8H2,1-2H3,(H,14,15)/t10-/m0/s1
InChIKeyWRJPSKLPAYTUBJ-JTQLQIEISA-N
MW278.37 g/mol
LogP0.81
Rot. Bonds6

About (2S)-4-methyl-2-(piperidin-1-ylsulfonylamino)pentanoic acid

(2S)-4-methyl-2-(piperidin-1-ylsulfonylamino)pentanoic acid (PubChem CID 28783947) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is (2S)-4-methyl-2-(piperidin-1-ylsulfonylamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-4-methyl-2-(piperidin-1-ylsulfonylamino)pentanoic acid
PubChem CID28783947
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Name(2S)-4-methyl-2-(piperidin-1-ylsulfonylamino)pentanoic acid
SMILESCC(C)C[C@H](NS(=O)(=O)N1CCCCC1)C(=O)O
InChIInChI=1S/C11H22N2O4S/c1-9(2)8-10(11(14)15)12-18(16,17)13-6-4-3-5-7-13/h9-10,12H,3-8H2,1-2H3,(H,14,15)/t10-/m0/s1
InChIKeyWRJPSKLPAYTUBJ-JTQLQIEISA-N
XLogP0.81
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-(piperidin-1-ylsulfonylamino)pentanoic acid?
The IUPAC name of (2S)-4-methyl-2-(piperidin-1-ylsulfonylamino)pentanoic acid (CID 28783947) is (2S)-4-methyl-2-(piperidin-1-ylsulfonylamino)pentanoic acid.
What is the SMILES notation for (2S)-4-methyl-2-(piperidin-1-ylsulfonylamino)pentanoic acid?
The canonical SMILES for (2S)-4-methyl-2-(piperidin-1-ylsulfonylamino)pentanoic acid is CC(C)C[C@H](NS(=O)(=O)N1CCCCC1)C(=O)O.
What is the InChIKey of (2S)-4-methyl-2-(piperidin-1-ylsulfonylamino)pentanoic acid?
The InChIKey is WRJPSKLPAYTUBJ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-9(2)8-10(11(14)15)12-18(16,17)13-6-4-3-5-7-13/h9-10,12H,3-8H2,1-2H3,(H,14,15)/t10-/m0/s1.
What are the key properties of (2S)-4-methyl-2-(piperidin-1-ylsulfonylamino)pentanoic acid?
(2S)-4-methyl-2-(piperidin-1-ylsulfonylamino)pentanoic acid has a molecular weight of 278.37 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-(piperidin-1-ylsulfonylamino)pentanoic acid is sourced from PubChem (CID 28783947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).