3,4-dihydro-2H-pyran-5-yl(thiomorpholin-3-yl)methanone

C10H15NO2S — CID 116609702

IUPAC3,4-dihydro-2H-pyran-5-yl(thiomorpholin-3-yl)methanone
SMILESO=C(C1=COCCC1)C1CSCCN1
InChIInChI=1S/C10H15NO2S/c12-10(8-2-1-4-13-6-8)9-7-14-5-3-11-9/h6,9,11H,1-5,7H2
InChIKeyPDXVSUQUZIZZEI-UHFFFAOYSA-N
MW213.30 g/mol
LogP0.95
Rot. Bonds2

About 3,4-dihydro-2H-pyran-5-yl(thiomorpholin-3-yl)methanone

3,4-dihydro-2H-pyran-5-yl(thiomorpholin-3-yl)methanone (PubChem CID 116609702) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-5-yl(thiomorpholin-3-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-5-yl(thiomorpholin-3-yl)methanone
PubChem CID116609702
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name3,4-dihydro-2H-pyran-5-yl(thiomorpholin-3-yl)methanone
SMILESO=C(C1=COCCC1)C1CSCCN1
InChIInChI=1S/C10H15NO2S/c12-10(8-2-1-4-13-6-8)9-7-14-5-3-11-9/h6,9,11H,1-5,7H2
InChIKeyPDXVSUQUZIZZEI-UHFFFAOYSA-N
XLogP0.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydrofuran-5-yl(thiomorpholin-3-yl)methanone
CID 102652614
2,3-dihydro-1-benzofuran-5-yl(thiomorpholin-3-yl)methanone
CID 116609593
(5-methylthiophen-3-yl)-thiomorpholin-3-ylmethanone
CID 116609720
(3R)-thiomorpholine-3-carboxamide
CID 41097978
(2-methylthiophen-3-yl)-thiomorpholin-3-ylmethanone
CID 102839670
(3-aminocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methanone
CID 116569003
2-(cyclopenten-1-yl)-1-thiomorpholin-3-ylethanone
CID 130857171
(3-fluorophenyl)-thiomorpholin-3-ylmethanone
CID 116609632
(3-cyclobutylphenyl)-thiomorpholin-3-ylmethanone
CID 114607772
cycloheptyl(thiomorpholin-3-yl)methanone
CID 116609701
(7-fluoro-1-benzofuran-2-yl)-thiomorpholin-3-ylmethanone
CID 114737342
thiomorpholine-3-carbohydrazide
CID 14045872

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-5-yl(thiomorpholin-3-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-pyran-5-yl(thiomorpholin-3-yl)methanone (CID 116609702) is 3,4-dihydro-2H-pyran-5-yl(thiomorpholin-3-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-pyran-5-yl(thiomorpholin-3-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-pyran-5-yl(thiomorpholin-3-yl)methanone is O=C(C1=COCCC1)C1CSCCN1.
What is the InChIKey of 3,4-dihydro-2H-pyran-5-yl(thiomorpholin-3-yl)methanone?
The InChIKey is PDXVSUQUZIZZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c12-10(8-2-1-4-13-6-8)9-7-14-5-3-11-9/h6,9,11H,1-5,7H2.
What are the key properties of 3,4-dihydro-2H-pyran-5-yl(thiomorpholin-3-yl)methanone?
3,4-dihydro-2H-pyran-5-yl(thiomorpholin-3-yl)methanone has a molecular weight of 213.30 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran-5-yl(thiomorpholin-3-yl)methanone is sourced from PubChem (CID 116609702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).