2-(4-methoxyphenyl)-3-(3-pyrrolidin-1-ylpropyl)-1,3-thiazinan-4-one

C18H26N2O2S — CID 3853882

IUPAC2-(4-methoxyphenyl)-3-(3-pyrrolidin-1-ylpropyl)-1,3-thiazinan-4-one
SMILESCOc1ccc(C2SCCC(=O)N2CCCN2CCCC2)cc1
InChIInChI=1S/C18H26N2O2S/c1-22-16-7-5-15(6-8-16)18-20(17(21)9-14-23-18)13-4-12-19-10-2-3-11-19/h5-8,18H,2-4,9-14H2,1H3
InChIKeyIGKXHOMNXWZBBK-UHFFFAOYSA-N
MW334.48 g/mol
LogP3.15
Rot. Bonds6

About 2-(4-methoxyphenyl)-3-(3-pyrrolidin-1-ylpropyl)-1,3-thiazinan-4-one

2-(4-methoxyphenyl)-3-(3-pyrrolidin-1-ylpropyl)-1,3-thiazinan-4-one (PubChem CID 3853882) has the molecular formula C18H26N2O2S and a molecular weight of 334.48 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-(3-pyrrolidin-1-ylpropyl)-1,3-thiazinan-4-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-(3-pyrrolidin-1-ylpropyl)-1,3-thiazinan-4-one
PubChem CID3853882
Molecular FormulaC18H26N2O2S
Molecular Weight334.48 g/mol
Exact Mass334.17
IUPAC Name2-(4-methoxyphenyl)-3-(3-pyrrolidin-1-ylpropyl)-1,3-thiazinan-4-one
SMILESCOc1ccc(C2SCCC(=O)N2CCCN2CCCC2)cc1
InChIInChI=1S/C18H26N2O2S/c1-22-16-7-5-15(6-8-16)18-20(17(21)9-14-23-18)13-4-12-19-10-2-3-11-19/h5-8,18H,2-4,9-14H2,1H3
InChIKeyIGKXHOMNXWZBBK-UHFFFAOYSA-N
XLogP3.15
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.48
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-morpholin-4-ylpropyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazinan-4-one
CID 3724569
2-(2,5-dimethoxyphenyl)-3-(3-piperidin-1-ylpropyl)-1,3-thiazolidin-4-one
CID 23851729
3-butyl-2-(4-chlorophenyl)-1,3-thiazinan-4-one
CID 3749093
2-(4-methoxyphenyl)-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one
CID 42815102
2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one
CID 23988752
3-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 42814508
methyl 6-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]hexanoate
CID 3806298
3-butyl-2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazinan-4-one
CID 3727519
3-butyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazinan-4-one
CID 3417661
2-(4-methoxyphenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one
CID 42814433
(2S)-2-(4-methoxyphenyl)-3-(2-phenylethyl)-1,3-thiazolidin-4-one
CID 720979
2-(4-ethoxyphenyl)-3-(2-methylpropyl)-1,3-thiazinan-4-one
CID 4236849

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-(3-pyrrolidin-1-ylpropyl)-1,3-thiazinan-4-one?
The IUPAC name of 2-(4-methoxyphenyl)-3-(3-pyrrolidin-1-ylpropyl)-1,3-thiazinan-4-one (CID 3853882) is 2-(4-methoxyphenyl)-3-(3-pyrrolidin-1-ylpropyl)-1,3-thiazinan-4-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-(3-pyrrolidin-1-ylpropyl)-1,3-thiazinan-4-one?
The canonical SMILES for 2-(4-methoxyphenyl)-3-(3-pyrrolidin-1-ylpropyl)-1,3-thiazinan-4-one is COc1ccc(C2SCCC(=O)N2CCCN2CCCC2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-(3-pyrrolidin-1-ylpropyl)-1,3-thiazinan-4-one?
The InChIKey is IGKXHOMNXWZBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2S/c1-22-16-7-5-15(6-8-16)18-20(17(21)9-14-23-18)13-4-12-19-10-2-3-11-19/h5-8,18H,2-4,9-14H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-3-(3-pyrrolidin-1-ylpropyl)-1,3-thiazinan-4-one?
2-(4-methoxyphenyl)-3-(3-pyrrolidin-1-ylpropyl)-1,3-thiazinan-4-one has a molecular weight of 334.48 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-(3-pyrrolidin-1-ylpropyl)-1,3-thiazinan-4-one is sourced from PubChem (CID 3853882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).