N,N-diethyl-2-(2-piperidin-4-ylethylsulfinyl)acetamide

C13H26N2O2S — CID 112741796

IUPACN,N-diethyl-2-(2-piperidin-4-ylethylsulfinyl)acetamide
SMILESCCN(CC)C(=O)CS(=O)CCC1CCNCC1
InChIInChI=1S/C13H26N2O2S/c1-3-15(4-2)13(16)11-18(17)10-7-12-5-8-14-9-6-12/h12,14H,3-11H2,1-2H3
InChIKeyKPTBUTGKCWHVFO-UHFFFAOYSA-N
MW274.43 g/mol
LogP0.99
Rot. Bonds7

About N,N-diethyl-2-(2-piperidin-4-ylethylsulfinyl)acetamide

N,N-diethyl-2-(2-piperidin-4-ylethylsulfinyl)acetamide (PubChem CID 112741796) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N,N-diethyl-2-(2-piperidin-4-ylethylsulfinyl)acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(2-piperidin-4-ylethylsulfinyl)acetamide
PubChem CID112741796
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC NameN,N-diethyl-2-(2-piperidin-4-ylethylsulfinyl)acetamide
SMILESCCN(CC)C(=O)CS(=O)CCC1CCNCC1
InChIInChI=1S/C13H26N2O2S/c1-3-15(4-2)13(16)11-18(17)10-7-12-5-8-14-9-6-12/h12,14H,3-11H2,1-2H3
InChIKeyKPTBUTGKCWHVFO-UHFFFAOYSA-N
XLogP0.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(2-piperidin-4-ylethylsulfinyl)acetamide?
The IUPAC name of N,N-diethyl-2-(2-piperidin-4-ylethylsulfinyl)acetamide (CID 112741796) is N,N-diethyl-2-(2-piperidin-4-ylethylsulfinyl)acetamide.
What is the SMILES notation for N,N-diethyl-2-(2-piperidin-4-ylethylsulfinyl)acetamide?
The canonical SMILES for N,N-diethyl-2-(2-piperidin-4-ylethylsulfinyl)acetamide is CCN(CC)C(=O)CS(=O)CCC1CCNCC1.
What is the InChIKey of N,N-diethyl-2-(2-piperidin-4-ylethylsulfinyl)acetamide?
The InChIKey is KPTBUTGKCWHVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-3-15(4-2)13(16)11-18(17)10-7-12-5-8-14-9-6-12/h12,14H,3-11H2,1-2H3.
What are the key properties of N,N-diethyl-2-(2-piperidin-4-ylethylsulfinyl)acetamide?
N,N-diethyl-2-(2-piperidin-4-ylethylsulfinyl)acetamide has a molecular weight of 274.43 g/mol, XLogP of 0.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(2-piperidin-4-ylethylsulfinyl)acetamide is sourced from PubChem (CID 112741796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).