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

C14H20N2O2S2 — CID 4987991

IUPAC3-(2-morpholin-4-ylethyl)-2-thiophen-3-yl-1,3-thiazinan-4-one
SMILESO=C1CCSC(c2ccsc2)N1CCN1CCOCC1
InChIInChI=1S/C14H20N2O2S2/c17-13-2-10-20-14(12-1-9-19-11-12)16(13)4-3-15-5-7-18-8-6-15/h1,9,11,14H,2-8,10H2
InChIKeyCDZZAWMNJPIDEQ-UHFFFAOYSA-N
MW312.46 g/mol
LogP2.04
Rot. Bonds4

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

3-(2-morpholin-4-ylethyl)-2-thiophen-3-yl-1,3-thiazinan-4-one (PubChem CID 4987991) has the molecular formula C14H20N2O2S2 and a molecular weight of 312.46 g/mol. Its IUPAC name is 3-(2-morpholin-4-ylethyl)-2-thiophen-3-yl-1,3-thiazinan-4-one.

Molecular Properties

Compound Name3-(2-morpholin-4-ylethyl)-2-thiophen-3-yl-1,3-thiazinan-4-one
PubChem CID4987991
Molecular FormulaC14H20N2O2S2
Molecular Weight312.46 g/mol
Exact Mass312.10
IUPAC Name3-(2-morpholin-4-ylethyl)-2-thiophen-3-yl-1,3-thiazinan-4-one
SMILESO=C1CCSC(c2ccsc2)N1CCN1CCOCC1
InChIInChI=1S/C14H20N2O2S2/c17-13-2-10-20-14(12-1-9-19-11-12)16(13)4-3-15-5-7-18-8-6-15/h1,9,11,14H,2-8,10H2
InChIKeyCDZZAWMNJPIDEQ-UHFFFAOYSA-N
XLogP2.04
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-morpholin-4-ylethyl)-2-thiophen-3-yl-1,3-thiazolidin-4-one
CID 3682436
4-[3-(2-morpholin-4-ylethyl)-4-oxo-1,3-thiazinan-2-yl]benzonitrile
CID 3301594
2-(2-chlorophenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazinan-4-one
CID 3771518
2-(2-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazinan-4-one
CID 74224335
3-(3-morpholin-4-ylpropyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazinan-4-one
CID 3724569
2-(4,5-dimethylfuran-2-yl)-3-(2-morpholin-4-ylethyl)-1,3-thiazinan-4-one
CID 3361757
3-[(3,5-dimethoxyphenyl)methyl]-2-thiophen-3-yl-1,3-thiazinan-4-one
CID 3585616
3-(2-morpholin-4-ylethyl)-2-(4-pyrrolidin-1-ylphenyl)-1,3-thiazolidin-4-one
CID 23818738
3-(2-morpholin-4-ylethyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one
CID 127049590
2-(4-methoxyphenyl)-3-(3-pyrrolidin-1-ylpropyl)-1,3-thiazinan-4-one
CID 3853882
2-(3-fluorophenyl)-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one
CID 12050572
5-methyl-3-(2-pyrrolidin-1-ylethyl)-2-thiophen-3-ylimidazolidin-4-one
CID 83251904

Frequently Asked Questions

What is the IUPAC name of 3-(2-morpholin-4-ylethyl)-2-thiophen-3-yl-1,3-thiazinan-4-one?
The IUPAC name of 3-(2-morpholin-4-ylethyl)-2-thiophen-3-yl-1,3-thiazinan-4-one (CID 4987991) is 3-(2-morpholin-4-ylethyl)-2-thiophen-3-yl-1,3-thiazinan-4-one.
What is the SMILES notation for 3-(2-morpholin-4-ylethyl)-2-thiophen-3-yl-1,3-thiazinan-4-one?
The canonical SMILES for 3-(2-morpholin-4-ylethyl)-2-thiophen-3-yl-1,3-thiazinan-4-one is O=C1CCSC(c2ccsc2)N1CCN1CCOCC1.
What is the InChIKey of 3-(2-morpholin-4-ylethyl)-2-thiophen-3-yl-1,3-thiazinan-4-one?
The InChIKey is CDZZAWMNJPIDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S2/c17-13-2-10-20-14(12-1-9-19-11-12)16(13)4-3-15-5-7-18-8-6-15/h1,9,11,14H,2-8,10H2.
What are the key properties of 3-(2-morpholin-4-ylethyl)-2-thiophen-3-yl-1,3-thiazinan-4-one?
3-(2-morpholin-4-ylethyl)-2-thiophen-3-yl-1,3-thiazinan-4-one has a molecular weight of 312.46 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-morpholin-4-ylethyl)-2-thiophen-3-yl-1,3-thiazinan-4-one is sourced from PubChem (CID 4987991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).