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

C14H17Cl2NO3S — CID 102884663

IUPAC1-(2,4-dichlorophenyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one
SMILESCC1CS(=O)(=O)CCN1C(C)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H17Cl2NO3S/c1-9-8-21(19,20)6-5-17(9)10(2)14(18)12-4-3-11(15)7-13(12)16/h3-4,7,9-10H,5-6,8H2,1-2H3
InChIKeyCSNNAYYGESCSDE-UHFFFAOYSA-N
MW350.27 g/mol
LogP2.68
Rot. Bonds3

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

1-(2,4-dichlorophenyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one (PubChem CID 102884663) has the molecular formula C14H17Cl2NO3S and a molecular weight of 350.27 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one
PubChem CID102884663
Molecular FormulaC14H17Cl2NO3S
Molecular Weight350.27 g/mol
Exact Mass349.03
IUPAC Name1-(2,4-dichlorophenyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one
SMILESCC1CS(=O)(=O)CCN1C(C)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H17Cl2NO3S/c1-9-8-21(19,20)6-5-17(9)10(2)14(18)12-4-3-11(15)7-13(12)16/h3-4,7,9-10H,5-6,8H2,1-2H3
InChIKeyCSNNAYYGESCSDE-UHFFFAOYSA-N
XLogP2.68
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.27
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propanamide
CID 102886028
1-(2,4-dichlorophenyl)-2-(4-hydroxy-3-methylpiperidin-1-yl)propan-1-one
CID 114679261
1-(2,4-dichlorophenyl)-2-(2-ethylazepan-1-yl)propan-1-one
CID 104690675
1-[2-chloro-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]ethanone
CID 102883913
1-(2,4-dichlorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one
CID 62467958
2-(3-aminopiperidin-1-yl)-1-(2,4-dichlorophenyl)propan-1-one
CID 62037868
3-(2,4-dichlorophenyl)-2-methyl-3-oxopropanoic acid
CID 116918261
(2-chloro-5-hydroxyphenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 106502246
1-(2,4-dichlorophenyl)-2-(4-methylpyrazol-1-yl)propan-1-one
CID 60871958
(4-chloro-2-pyridinyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 113239864
1-(2,4-dichlorophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one
CID 81204933
5-chloro-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)benzenecarbothioamide
CID 102883514

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one?
The IUPAC name of 1-(2,4-dichlorophenyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one (CID 102884663) is 1-(2,4-dichlorophenyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one is CC1CS(=O)(=O)CCN1C(C)C(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one?
The InChIKey is CSNNAYYGESCSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO3S/c1-9-8-21(19,20)6-5-17(9)10(2)14(18)12-4-3-11(15)7-13(12)16/h3-4,7,9-10H,5-6,8H2,1-2H3.
What are the key properties of 1-(2,4-dichlorophenyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one?
1-(2,4-dichlorophenyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one has a molecular weight of 350.27 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one is sourced from PubChem (CID 102884663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).