3,4-dihydro-2H-pyran-6-yl-(1-oxo-1,4-thiazinan-4-yl)methanone

C10H15NO3S — CID 86777891

IUPAC3,4-dihydro-2H-pyran-6-yl-(1-oxo-1,4-thiazinan-4-yl)methanone
SMILESO=C(C1=CCCCO1)N1CCS(=O)CC1
InChIInChI=1S/C10H15NO3S/c12-10(9-3-1-2-6-14-9)11-4-7-15(13)8-5-11/h3H,1-2,4-8H2
InChIKeyNQQYMDSEMYJXHR-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.27
Rot. Bonds1

About 3,4-dihydro-2H-pyran-6-yl-(1-oxo-1,4-thiazinan-4-yl)methanone

3,4-dihydro-2H-pyran-6-yl-(1-oxo-1,4-thiazinan-4-yl)methanone (PubChem CID 86777891) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-6-yl-(1-oxo-1,4-thiazinan-4-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-6-yl-(1-oxo-1,4-thiazinan-4-yl)methanone
PubChem CID86777891
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC Name3,4-dihydro-2H-pyran-6-yl-(1-oxo-1,4-thiazinan-4-yl)methanone
SMILESO=C(C1=CCCCO1)N1CCS(=O)CC1
InChIInChI=1S/C10H15NO3S/c12-10(9-3-1-2-6-14-9)11-4-7-15(13)8-5-11/h3H,1-2,4-8H2
InChIKeyNQQYMDSEMYJXHR-UHFFFAOYSA-N
XLogP0.27
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(1-oxo-1,4-thiazinan-4-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(1-oxo-1,4-thiazinan-4-yl)methanone (CID 86777891) is 3,4-dihydro-2H-pyran-6-yl-(1-oxo-1,4-thiazinan-4-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-pyran-6-yl-(1-oxo-1,4-thiazinan-4-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-pyran-6-yl-(1-oxo-1,4-thiazinan-4-yl)methanone is O=C(C1=CCCCO1)N1CCS(=O)CC1.
What is the InChIKey of 3,4-dihydro-2H-pyran-6-yl-(1-oxo-1,4-thiazinan-4-yl)methanone?
The InChIKey is NQQYMDSEMYJXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S/c12-10(9-3-1-2-6-14-9)11-4-7-15(13)8-5-11/h3H,1-2,4-8H2.
What are the key properties of 3,4-dihydro-2H-pyran-6-yl-(1-oxo-1,4-thiazinan-4-yl)methanone?
3,4-dihydro-2H-pyran-6-yl-(1-oxo-1,4-thiazinan-4-yl)methanone has a molecular weight of 229.30 g/mol, XLogP of 0.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran-6-yl-(1-oxo-1,4-thiazinan-4-yl)methanone is sourced from PubChem (CID 86777891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).