2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1-piperidin-1-ylethanone

C14H24N2O2S — CID 14367450

IUPAC2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1-piperidin-1-ylethanone
SMILESO=C(CSCC(=O)N1CCCCC1)N1CCCCC1
InChIInChI=1S/C14H24N2O2S/c17-13(15-7-3-1-4-8-15)11-19-12-14(18)16-9-5-2-6-10-16/h1-12H2
InChIKeyCVTQITQBGAMDLN-UHFFFAOYSA-N
MW284.43 g/mol
LogP1.74
Rot. Bonds4

About 2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1-piperidin-1-ylethanone

2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1-piperidin-1-ylethanone (PubChem CID 14367450) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1-piperidin-1-ylethanone
PubChem CID14367450
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1-piperidin-1-ylethanone
SMILESO=C(CSCC(=O)N1CCCCC1)N1CCCCC1
InChIInChI=1S/C14H24N2O2S/c17-13(15-7-3-1-4-8-15)11-19-12-14(18)16-9-5-2-6-10-16/h1-12H2
InChIKeyCVTQITQBGAMDLN-UHFFFAOYSA-N
XLogP1.74
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azepan-1-yl)-2-(3-hydroxypropylsulfanyl)ethanone
CID 66114073
1-(azepan-1-yl)-2-(2,3-dihydroxypropylsulfanyl)ethanone
CID 79682454
2-amino-3-[2-(azepan-1-yl)-2-oxoethyl]sulfanylpropanoic acid
CID 43176433
2-(3-methylbutylsulfanyl)-1-piperidin-1-ylethanone
CID 146333641
1,4-bis(azepan-1-yl)butane-1,4-dione
CID 5206430
1,3-bis(azepan-1-yl)propane-1,3-dione
CID 108952660
N-(2-amino-2-methylpropyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride
CID 119630529
2-(3-aminobutylsulfanyl)-1-(azocan-1-yl)ethanone
CID 66232817
ethyl 3-oxo-4-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbutanoate
CID 113249316
1-(azepan-1-yl)propan-1-one
CID 3613534
2-cyclopentylsulfanyl-1-piperidin-1-ylethanone
CID 47003991
1-(4-bromophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylethanone
CID 4572688

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1-piperidin-1-ylethanone?
The IUPAC name of 2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1-piperidin-1-ylethanone (CID 14367450) is 2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1-piperidin-1-ylethanone is O=C(CSCC(=O)N1CCCCC1)N1CCCCC1.
What is the InChIKey of 2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1-piperidin-1-ylethanone?
The InChIKey is CVTQITQBGAMDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c17-13(15-7-3-1-4-8-15)11-19-12-14(18)16-9-5-2-6-10-16/h1-12H2.
What are the key properties of 2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1-piperidin-1-ylethanone?
2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1-piperidin-1-ylethanone has a molecular weight of 284.43 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1-piperidin-1-ylethanone is sourced from PubChem (CID 14367450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).