2-methyl-1-(4-methyl-2H-thiopyran-6-yl)-2-morpholin-4-ylpropan-1-one

C14H21NO2S — CID 22182129

IUPAC2-methyl-1-(4-methyl-2H-thiopyran-6-yl)-2-morpholin-4-ylpropan-1-one
SMILESCC1=CCSC(C(=O)C(C)(C)N2CCOCC2)=C1
InChIInChI=1S/C14H21NO2S/c1-11-4-9-18-12(10-11)13(16)14(2,3)15-5-7-17-8-6-15/h4,10H,5-9H2,1-3H3
InChIKeyOIUMYJXHMQTMCM-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.24
Rot. Bonds3

About 2-methyl-1-(4-methyl-2H-thiopyran-6-yl)-2-morpholin-4-ylpropan-1-one

2-methyl-1-(4-methyl-2H-thiopyran-6-yl)-2-morpholin-4-ylpropan-1-one (PubChem CID 22182129) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 2-methyl-1-(4-methyl-2H-thiopyran-6-yl)-2-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-methyl-1-(4-methyl-2H-thiopyran-6-yl)-2-morpholin-4-ylpropan-1-one
PubChem CID22182129
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name2-methyl-1-(4-methyl-2H-thiopyran-6-yl)-2-morpholin-4-ylpropan-1-one
SMILESCC1=CCSC(C(=O)C(C)(C)N2CCOCC2)=C1
InChIInChI=1S/C14H21NO2S/c1-11-4-9-18-12(10-11)13(16)14(2,3)15-5-7-17-8-6-15/h4,10H,5-9H2,1-3H3
InChIKeyOIUMYJXHMQTMCM-UHFFFAOYSA-N
XLogP2.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methyl-2H-thiopyran-6-yl)-2-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-methyl-1-(4-methyl-2H-thiopyran-6-yl)-2-morpholin-4-ylpropan-1-one (CID 22182129) is 2-methyl-1-(4-methyl-2H-thiopyran-6-yl)-2-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-methyl-1-(4-methyl-2H-thiopyran-6-yl)-2-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-methyl-1-(4-methyl-2H-thiopyran-6-yl)-2-morpholin-4-ylpropan-1-one is CC1=CCSC(C(=O)C(C)(C)N2CCOCC2)=C1.
What is the InChIKey of 2-methyl-1-(4-methyl-2H-thiopyran-6-yl)-2-morpholin-4-ylpropan-1-one?
The InChIKey is OIUMYJXHMQTMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-11-4-9-18-12(10-11)13(16)14(2,3)15-5-7-17-8-6-15/h4,10H,5-9H2,1-3H3.
What are the key properties of 2-methyl-1-(4-methyl-2H-thiopyran-6-yl)-2-morpholin-4-ylpropan-1-one?
2-methyl-1-(4-methyl-2H-thiopyran-6-yl)-2-morpholin-4-ylpropan-1-one has a molecular weight of 267.39 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methyl-2H-thiopyran-6-yl)-2-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 22182129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).