1-(2,3-dichlorophenyl)-3-(1-oxo-1,4-thiazinan-4-yl)propan-1-one

C13H15Cl2NO2S — CID 114079724

IUPAC1-(2,3-dichlorophenyl)-3-(1-oxo-1,4-thiazinan-4-yl)propan-1-one
SMILESO=C(CCN1CCS(=O)CC1)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H15Cl2NO2S/c14-11-3-1-2-10(13(11)15)12(17)4-5-16-6-8-19(18)9-7-16/h1-3H,4-9H2
InChIKeyVTAOTMPXZAOIIB-UHFFFAOYSA-N
MW320.24 g/mol
LogP2.63
Rot. Bonds4

About 1-(2,3-dichlorophenyl)-3-(1-oxo-1,4-thiazinan-4-yl)propan-1-one

1-(2,3-dichlorophenyl)-3-(1-oxo-1,4-thiazinan-4-yl)propan-1-one (PubChem CID 114079724) has the molecular formula C13H15Cl2NO2S and a molecular weight of 320.24 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-3-(1-oxo-1,4-thiazinan-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-3-(1-oxo-1,4-thiazinan-4-yl)propan-1-one
PubChem CID114079724
Molecular FormulaC13H15Cl2NO2S
Molecular Weight320.24 g/mol
Exact Mass319.02
IUPAC Name1-(2,3-dichlorophenyl)-3-(1-oxo-1,4-thiazinan-4-yl)propan-1-one
SMILESO=C(CCN1CCS(=O)CC1)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H15Cl2NO2S/c14-11-3-1-2-10(13(11)15)12(17)4-5-16-6-8-19(18)9-7-16/h1-3H,4-9H2
InChIKeyVTAOTMPXZAOIIB-UHFFFAOYSA-N
XLogP2.63
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.24
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dichlorophenyl)butan-1-one
CID 54508940
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1-(2-bromophenyl)-2-(1-oxo-1,4-thiazinan-4-yl)ethanone
CID 54977317
(2,3-dichlorophenyl)-[4-[2-[(R)-methylsulfinyl]ethyl]piperazin-1-yl]methanone
CID 95775773
2,3-dichloro-N-(2-piperidin-1-ylethyl)benzamide
CID 17173706
1-(2,3-dichlorophenyl)propan-1-one
CID 22173184
1-(2-chloro-5-methylphenyl)-3-pyrrolidin-1-ylpropan-1-one
CID 82050177
1-(2,3-dichlorophenyl)-4-(methylamino)butan-1-one
CID 116555585
2-(2,3-dichlorophenyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]prop-2-en-1-one
CID 173225845
2,3-dichloro-N-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 63265748
1-(2-chlorophenyl)-3-[3-(diethylamino)pyrrolidin-1-yl]propan-1-one
CID 63169034
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(2,3-dichlorophenyl)methanone
CID 19294950

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-3-(1-oxo-1,4-thiazinan-4-yl)propan-1-one?
The IUPAC name of 1-(2,3-dichlorophenyl)-3-(1-oxo-1,4-thiazinan-4-yl)propan-1-one (CID 114079724) is 1-(2,3-dichlorophenyl)-3-(1-oxo-1,4-thiazinan-4-yl)propan-1-one.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-3-(1-oxo-1,4-thiazinan-4-yl)propan-1-one?
The canonical SMILES for 1-(2,3-dichlorophenyl)-3-(1-oxo-1,4-thiazinan-4-yl)propan-1-one is O=C(CCN1CCS(=O)CC1)c1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-3-(1-oxo-1,4-thiazinan-4-yl)propan-1-one?
The InChIKey is VTAOTMPXZAOIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO2S/c14-11-3-1-2-10(13(11)15)12(17)4-5-16-6-8-19(18)9-7-16/h1-3H,4-9H2.
What are the key properties of 1-(2,3-dichlorophenyl)-3-(1-oxo-1,4-thiazinan-4-yl)propan-1-one?
1-(2,3-dichlorophenyl)-3-(1-oxo-1,4-thiazinan-4-yl)propan-1-one has a molecular weight of 320.24 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-3-(1-oxo-1,4-thiazinan-4-yl)propan-1-one is sourced from PubChem (CID 114079724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).