3-butyl-2-(4-chlorophenyl)-1,3-thiazinan-4-one

C14H18ClNOS — CID 3749093

IUPAC3-butyl-2-(4-chlorophenyl)-1,3-thiazinan-4-one
SMILESCCCCN1C(=O)CCSC1c1ccc(Cl)cc1
InChIInChI=1S/C14H18ClNOS/c1-2-3-9-16-13(17)8-10-18-14(16)11-4-6-12(15)7-5-11/h4-7,14H,2-3,8-10H2,1H3
InChIKeyWPXWFQLYBNTEOW-UHFFFAOYSA-N
MW283.82 g/mol
LogP4.10
Rot. Bonds4

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

3-butyl-2-(4-chlorophenyl)-1,3-thiazinan-4-one (PubChem CID 3749093) has the molecular formula C14H18ClNOS and a molecular weight of 283.82 g/mol. Its IUPAC name is 3-butyl-2-(4-chlorophenyl)-1,3-thiazinan-4-one.

Molecular Properties

Compound Name3-butyl-2-(4-chlorophenyl)-1,3-thiazinan-4-one
PubChem CID3749093
Molecular FormulaC14H18ClNOS
Molecular Weight283.82 g/mol
Exact Mass283.08
IUPAC Name3-butyl-2-(4-chlorophenyl)-1,3-thiazinan-4-one
SMILESCCCCN1C(=O)CCSC1c1ccc(Cl)cc1
InChIInChI=1S/C14H18ClNOS/c1-2-3-9-16-13(17)8-10-18-14(16)11-4-6-12(15)7-5-11/h4-7,14H,2-3,8-10H2,1H3
InChIKeyWPXWFQLYBNTEOW-UHFFFAOYSA-N
XLogP4.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.82
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-butyl-2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazinan-4-one
CID 3727519
5-amino-1-butyl-6-(4-chlorophenyl)piperidin-2-one
CID 82193409
3-butyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazinan-4-one
CID 3417661
(2S)-2-(4-chlorophenyl)-3-[2-[(2R)-2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one
CID 1207971
3-[(2R)-2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium
CID 6936520
3-[(2S)-2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium
CID 6936521
(2R)-2-(4-chlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one
CID 749265
2,6-dibutyl-1,5-bis(4-chlorophenyl)-1,5-dihydro-[1,2,4]triazolo[1,2-a][1,2,4]triazole-3,7-dione
CID 4307358
2-(4-methoxyphenyl)-3-(3-pyrrolidin-1-ylpropyl)-1,3-thiazinan-4-one
CID 3853882
3-butyl-2-(4-ethylsulfanylphenyl)-1,3-thiazolidin-4-one
CID 3685976
3-(3-morpholin-4-ylpropyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazinan-4-one
CID 3724569
2-(4-ethoxyphenyl)-3-(2-methylpropyl)-1,3-thiazinan-4-one
CID 4236849

Frequently Asked Questions

What is the IUPAC name of 3-butyl-2-(4-chlorophenyl)-1,3-thiazinan-4-one?
The IUPAC name of 3-butyl-2-(4-chlorophenyl)-1,3-thiazinan-4-one (CID 3749093) is 3-butyl-2-(4-chlorophenyl)-1,3-thiazinan-4-one.
What is the SMILES notation for 3-butyl-2-(4-chlorophenyl)-1,3-thiazinan-4-one?
The canonical SMILES for 3-butyl-2-(4-chlorophenyl)-1,3-thiazinan-4-one is CCCCN1C(=O)CCSC1c1ccc(Cl)cc1.
What is the InChIKey of 3-butyl-2-(4-chlorophenyl)-1,3-thiazinan-4-one?
The InChIKey is WPXWFQLYBNTEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNOS/c1-2-3-9-16-13(17)8-10-18-14(16)11-4-6-12(15)7-5-11/h4-7,14H,2-3,8-10H2,1H3.
What are the key properties of 3-butyl-2-(4-chlorophenyl)-1,3-thiazinan-4-one?
3-butyl-2-(4-chlorophenyl)-1,3-thiazinan-4-one has a molecular weight of 283.82 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-(4-chlorophenyl)-1,3-thiazinan-4-one is sourced from PubChem (CID 3749093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).