2-[(S)-[(2R,3R)-2-methyloxolan-3-yl]sulfinyl]-1-piperidin-1-ylethanone

C12H21NO3S — CID 99819319

IUPAC2-[(S)-[(2R,3R)-2-methyloxolan-3-yl]sulfinyl]-1-piperidin-1-ylethanone
SMILESC[C@H]1OCC[C@H]1[S@@](=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/t10-,11-,17+/m1/s1
InChIKeyRETPAQJCPWPQKY-AGKHESDQSA-N
MW259.37 g/mol
LogP0.93
Rot. Bonds3

About 2-[(S)-[(2R,3R)-2-methyloxolan-3-yl]sulfinyl]-1-piperidin-1-ylethanone

2-[(S)-[(2R,3R)-2-methyloxolan-3-yl]sulfinyl]-1-piperidin-1-ylethanone (PubChem CID 99819319) has the molecular formula C12H21NO3S and a molecular weight of 259.37 g/mol. Its IUPAC name is 2-[(S)-[(2R,3R)-2-methyloxolan-3-yl]sulfinyl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[(S)-[(2R,3R)-2-methyloxolan-3-yl]sulfinyl]-1-piperidin-1-ylethanone
PubChem CID99819319
Molecular FormulaC12H21NO3S
Molecular Weight259.37 g/mol
Exact Mass259.12
IUPAC Name2-[(S)-[(2R,3R)-2-methyloxolan-3-yl]sulfinyl]-1-piperidin-1-ylethanone
SMILESC[C@H]1OCC[C@H]1[S@@](=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/t10-,11-,17+/m1/s1
InChIKeyRETPAQJCPWPQKY-AGKHESDQSA-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-[(S)-[(2R,3R)-2-methyloxolan-3-yl]sulfinyl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[(S)-[(2R,3R)-2-methyloxolan-3-yl]sulfinyl]-1-piperidin-1-ylethanone (CID 99819319) is 2-[(S)-[(2R,3R)-2-methyloxolan-3-yl]sulfinyl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[(S)-[(2R,3R)-2-methyloxolan-3-yl]sulfinyl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[(S)-[(2R,3R)-2-methyloxolan-3-yl]sulfinyl]-1-piperidin-1-ylethanone is C[C@H]1OCC[C@H]1[S@@](=O)CC(=O)N1CCCCC1.
What is the InChIKey of 2-[(S)-[(2R,3R)-2-methyloxolan-3-yl]sulfinyl]-1-piperidin-1-ylethanone?
The InChIKey is RETPAQJCPWPQKY-AGKHESDQSA-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/t10-,11-,17+/m1/s1.
What are the key properties of 2-[(S)-[(2R,3R)-2-methyloxolan-3-yl]sulfinyl]-1-piperidin-1-ylethanone?
2-[(S)-[(2R,3R)-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-[(S)-[(2R,3R)-2-methyloxolan-3-yl]sulfinyl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 99819319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).