2-(2-chlorophenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazinan-4-one

C16H21ClN2O2S — CID 3771518

IUPAC2-(2-chlorophenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazinan-4-one
SMILESO=C1CCSC(c2ccccc2Cl)N1CCN1CCOCC1
InChIInChI=1S/C16H21ClN2O2S/c17-14-4-2-1-3-13(14)16-19(15(20)5-12-22-16)7-6-18-8-10-21-11-9-18/h1-4,16H,5-12H2
InChIKeyDYNZISXEHLEZGA-UHFFFAOYSA-N
MW340.88 g/mol
LogP2.64
Rot. Bonds4

About 2-(2-chlorophenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazinan-4-one

2-(2-chlorophenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazinan-4-one (PubChem CID 3771518) has the molecular formula C16H21ClN2O2S and a molecular weight of 340.88 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazinan-4-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazinan-4-one
PubChem CID3771518
Molecular FormulaC16H21ClN2O2S
Molecular Weight340.88 g/mol
Exact Mass340.10
IUPAC Name2-(2-chlorophenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazinan-4-one
SMILESO=C1CCSC(c2ccccc2Cl)N1CCN1CCOCC1
InChIInChI=1S/C16H21ClN2O2S/c17-14-4-2-1-3-13(14)16-19(15(20)5-12-22-16)7-6-18-8-10-21-11-9-18/h1-4,16H,5-12H2
InChIKeyDYNZISXEHLEZGA-UHFFFAOYSA-N
XLogP2.64
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.88
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazinan-4-one
CID 74224335
3-(2-morpholin-4-ylethyl)-2-thiophen-3-yl-1,3-thiazinan-4-one
CID 4987991
4-[3-(2-morpholin-4-ylethyl)-4-oxo-1,3-thiazinan-2-yl]benzonitrile
CID 3301594
2-(4,5-dimethylfuran-2-yl)-3-(2-morpholin-4-ylethyl)-1,3-thiazinan-4-one
CID 3361757
3-(2-morpholin-4-ylethyl)-2-(2-nitrophenyl)-1,3-thiazolidin-4-one
CID 127049589
3-(3-morpholin-4-ylpropyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazinan-4-one
CID 3724569
2-(2-chlorophenyl)-3-(2-methylbenzoyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 42744832
ethyl 2-[2-[3-(2-morpholin-4-ylethyl)-4-oxo-1,3-thiazolidin-2-yl]phenoxy]acetate
CID 23737861
3-(2-morpholin-4-ylethyl)-2-(4-pyrrolidin-1-ylphenyl)-1,3-thiazolidin-4-one
CID 23818738
(5S)-5-(2-chlorophenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione
CID 40896844
3-(2-morpholin-4-ylethyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 23883321
3-(2-morpholin-4-ylethyl)-2-thiophen-3-yl-1,3-thiazolidin-4-one
CID 3682436

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazinan-4-one?
The IUPAC name of 2-(2-chlorophenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazinan-4-one (CID 3771518) is 2-(2-chlorophenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazinan-4-one.
What is the SMILES notation for 2-(2-chlorophenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazinan-4-one?
The canonical SMILES for 2-(2-chlorophenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazinan-4-one is O=C1CCSC(c2ccccc2Cl)N1CCN1CCOCC1.
What is the InChIKey of 2-(2-chlorophenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazinan-4-one?
The InChIKey is DYNZISXEHLEZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2S/c17-14-4-2-1-3-13(14)16-19(15(20)5-12-22-16)7-6-18-8-10-21-11-9-18/h1-4,16H,5-12H2.
What are the key properties of 2-(2-chlorophenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazinan-4-one?
2-(2-chlorophenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazinan-4-one has a molecular weight of 340.88 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazinan-4-one is sourced from PubChem (CID 3771518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).