2-(2-methyloxolan-3-yl)sulfinyl-1-piperidin-1-ylethanone

C12H21NO3S — CID 86780929

IUPAC2-(2-methyloxolan-3-yl)sulfinyl-1-piperidin-1-ylethanone
SMILESCC1OCCC1S(=O)CC(=O)N1CCCCC1
InChIInChI=1S/C12H21NO3S/c1-10-11(5-8-16-10)17(15)9-12(14)13-6-3-2-4-7-13/h10-11H,2-9H2,1H3
InChIKeyRETPAQJCPWPQKY-UHFFFAOYSA-N
MW259.37 g/mol
LogP0.93
Rot. Bonds3

About 2-(2-methyloxolan-3-yl)sulfinyl-1-piperidin-1-ylethanone

2-(2-methyloxolan-3-yl)sulfinyl-1-piperidin-1-ylethanone (PubChem CID 86780929) has the molecular formula C12H21NO3S and a molecular weight of 259.37 g/mol. Its IUPAC name is 2-(2-methyloxolan-3-yl)sulfinyl-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(2-methyloxolan-3-yl)sulfinyl-1-piperidin-1-ylethanone
PubChem CID86780929
Molecular FormulaC12H21NO3S
Molecular Weight259.37 g/mol
Exact Mass259.12
IUPAC Name2-(2-methyloxolan-3-yl)sulfinyl-1-piperidin-1-ylethanone
SMILESCC1OCCC1S(=O)CC(=O)N1CCCCC1
InChIInChI=1S/C12H21NO3S/c1-10-11(5-8-16-10)17(15)9-12(14)13-6-3-2-4-7-13/h10-11H,2-9H2,1H3
InChIKeyRETPAQJCPWPQKY-UHFFFAOYSA-N
XLogP0.93
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyloxolan-3-yl)sulfinyl-1-piperidin-1-ylethanone?
The IUPAC name of 2-(2-methyloxolan-3-yl)sulfinyl-1-piperidin-1-ylethanone (CID 86780929) is 2-(2-methyloxolan-3-yl)sulfinyl-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(2-methyloxolan-3-yl)sulfinyl-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(2-methyloxolan-3-yl)sulfinyl-1-piperidin-1-ylethanone is CC1OCCC1S(=O)CC(=O)N1CCCCC1.
What is the InChIKey of 2-(2-methyloxolan-3-yl)sulfinyl-1-piperidin-1-ylethanone?
The InChIKey is RETPAQJCPWPQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3S/c1-10-11(5-8-16-10)17(15)9-12(14)13-6-3-2-4-7-13/h10-11H,2-9H2,1H3.
What are the key properties of 2-(2-methyloxolan-3-yl)sulfinyl-1-piperidin-1-ylethanone?
2-(2-methyloxolan-3-yl)sulfinyl-1-piperidin-1-ylethanone has a molecular weight of 259.37 g/mol, XLogP of 0.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyloxolan-3-yl)sulfinyl-1-piperidin-1-ylethanone is sourced from PubChem (CID 86780929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).