3,4-dihydro-2H-pyran-6-yl-(2,2-dimethylthiomorpholin-4-yl)methanone

C12H19NO2S — CID 71923440

IUPAC3,4-dihydro-2H-pyran-6-yl-(2,2-dimethylthiomorpholin-4-yl)methanone
SMILESCC1(C)CN(C(=O)C2=CCCCO2)CCS1
InChIInChI=1S/C12H19NO2S/c1-12(2)9-13(6-8-16-12)11(14)10-5-3-4-7-15-10/h5H,3-4,6-9H2,1-2H3
InChIKeyJDTNEOZQPDQEKA-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.03
Rot. Bonds1

About 3,4-dihydro-2H-pyran-6-yl-(2,2-dimethylthiomorpholin-4-yl)methanone

3,4-dihydro-2H-pyran-6-yl-(2,2-dimethylthiomorpholin-4-yl)methanone (PubChem CID 71923440) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-6-yl-(2,2-dimethylthiomorpholin-4-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-6-yl-(2,2-dimethylthiomorpholin-4-yl)methanone
PubChem CID71923440
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name3,4-dihydro-2H-pyran-6-yl-(2,2-dimethylthiomorpholin-4-yl)methanone
SMILESCC1(C)CN(C(=O)C2=CCCCO2)CCS1
InChIInChI=1S/C12H19NO2S/c1-12(2)9-13(6-8-16-12)11(14)10-5-3-4-7-15-10/h5H,3-4,6-9H2,1-2H3
InChIKeyJDTNEOZQPDQEKA-UHFFFAOYSA-N
XLogP2.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,4-dihydro-2H-pyran-6-yl-(2,2-dimethylthiomorpholin-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(2,2-dimethylthiomorpholin-4-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(2,2-dimethylthiomorpholin-4-yl)methanone (CID 71923440) is 3,4-dihydro-2H-pyran-6-yl-(2,2-dimethylthiomorpholin-4-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-pyran-6-yl-(2,2-dimethylthiomorpholin-4-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-pyran-6-yl-(2,2-dimethylthiomorpholin-4-yl)methanone is CC1(C)CN(C(=O)C2=CCCCO2)CCS1.
What is the InChIKey of 3,4-dihydro-2H-pyran-6-yl-(2,2-dimethylthiomorpholin-4-yl)methanone?
The InChIKey is JDTNEOZQPDQEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-12(2)9-13(6-8-16-12)11(14)10-5-3-4-7-15-10/h5H,3-4,6-9H2,1-2H3.
What are the key properties of 3,4-dihydro-2H-pyran-6-yl-(2,2-dimethylthiomorpholin-4-yl)methanone?
3,4-dihydro-2H-pyran-6-yl-(2,2-dimethylthiomorpholin-4-yl)methanone has a molecular weight of 241.36 g/mol, XLogP of 2.03, 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-(2,2-dimethylthiomorpholin-4-yl)methanone is sourced from PubChem (CID 71923440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).