2-[(3R)-1-[(2R)-2-methylsulfanylbutanoyl]piperidin-3-yl]acetamide

C12H22N2O2S — CID 97238022

IUPAC2-[(3R)-1-[(2R)-2-methylsulfanylbutanoyl]piperidin-3-yl]acetamide
SMILESCC[C@@H](SC)C(=O)N1CCC[C@H](CC(N)=O)C1
InChIInChI=1S/C12H22N2O2S/c1-3-10(17-2)12(16)14-6-4-5-9(8-14)7-11(13)15/h9-10H,3-8H2,1-2H3,(H2,13,15)/t9-,10-/m1/s1
InChIKeyZBKJQAMKZIFEDE-NXEZZACHSA-N
MW258.39 g/mol
LogP1.24
Rot. Bonds5

About 2-[(3R)-1-[(2R)-2-methylsulfanylbutanoyl]piperidin-3-yl]acetamide

2-[(3R)-1-[(2R)-2-methylsulfanylbutanoyl]piperidin-3-yl]acetamide (PubChem CID 97238022) has the molecular formula C12H22N2O2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 2-[(3R)-1-[(2R)-2-methylsulfanylbutanoyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[(3R)-1-[(2R)-2-methylsulfanylbutanoyl]piperidin-3-yl]acetamide
PubChem CID97238022
Molecular FormulaC12H22N2O2S
Molecular Weight258.39 g/mol
Exact Mass258.14
IUPAC Name2-[(3R)-1-[(2R)-2-methylsulfanylbutanoyl]piperidin-3-yl]acetamide
SMILESCC[C@@H](SC)C(=O)N1CCC[C@H](CC(N)=O)C1
InChIInChI=1S/C12H22N2O2S/c1-3-10(17-2)12(16)14-6-4-5-9(8-14)7-11(13)15/h9-10H,3-8H2,1-2H3,(H2,13,15)/t9-,10-/m1/s1
InChIKeyZBKJQAMKZIFEDE-NXEZZACHSA-N
XLogP1.24
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-[(2R)-2-methylsulfanylbutanoyl]piperidin-3-yl]acetamide?
The IUPAC name of 2-[(3R)-1-[(2R)-2-methylsulfanylbutanoyl]piperidin-3-yl]acetamide (CID 97238022) is 2-[(3R)-1-[(2R)-2-methylsulfanylbutanoyl]piperidin-3-yl]acetamide.
What is the SMILES notation for 2-[(3R)-1-[(2R)-2-methylsulfanylbutanoyl]piperidin-3-yl]acetamide?
The canonical SMILES for 2-[(3R)-1-[(2R)-2-methylsulfanylbutanoyl]piperidin-3-yl]acetamide is CC[C@@H](SC)C(=O)N1CCC[C@H](CC(N)=O)C1.
What is the InChIKey of 2-[(3R)-1-[(2R)-2-methylsulfanylbutanoyl]piperidin-3-yl]acetamide?
The InChIKey is ZBKJQAMKZIFEDE-NXEZZACHSA-N. The full InChI is InChI=1S/C12H22N2O2S/c1-3-10(17-2)12(16)14-6-4-5-9(8-14)7-11(13)15/h9-10H,3-8H2,1-2H3,(H2,13,15)/t9-,10-/m1/s1.
What are the key properties of 2-[(3R)-1-[(2R)-2-methylsulfanylbutanoyl]piperidin-3-yl]acetamide?
2-[(3R)-1-[(2R)-2-methylsulfanylbutanoyl]piperidin-3-yl]acetamide has a molecular weight of 258.39 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-[(2R)-2-methylsulfanylbutanoyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 97238022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).