5-(2,4-dichlorophenyl)-2-methyl-1,4-thiazinane 1,1-dioxide

C11H13Cl2NO2S — CID 66241664

IUPAC5-(2,4-dichlorophenyl)-2-methyl-1,4-thiazinane 1,1-dioxide
SMILESCC1CNC(c2ccc(Cl)cc2Cl)CS1(=O)=O
InChIInChI=1S/C11H13Cl2NO2S/c1-7-5-14-11(6-17(7,15)16)9-3-2-8(12)4-10(9)13/h2-4,7,11,14H,5-6H2,1H3
InChIKeyBWSMJVSCLQOTAJ-UHFFFAOYSA-N
MW294.20 g/mol
LogP2.44
Rot. Bonds1

About 5-(2,4-dichlorophenyl)-2-methyl-1,4-thiazinane 1,1-dioxide

5-(2,4-dichlorophenyl)-2-methyl-1,4-thiazinane 1,1-dioxide (PubChem CID 66241664) has the molecular formula C11H13Cl2NO2S and a molecular weight of 294.20 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-2-methyl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-2-methyl-1,4-thiazinane 1,1-dioxide
PubChem CID66241664
Molecular FormulaC11H13Cl2NO2S
Molecular Weight294.20 g/mol
Exact Mass293.00
IUPAC Name5-(2,4-dichlorophenyl)-2-methyl-1,4-thiazinane 1,1-dioxide
SMILESCC1CNC(c2ccc(Cl)cc2Cl)CS1(=O)=O
InChIInChI=1S/C11H13Cl2NO2S/c1-7-5-14-11(6-17(7,15)16)9-3-2-8(12)4-10(9)13/h2-4,7,11,14H,5-6H2,1H3
InChIKeyBWSMJVSCLQOTAJ-UHFFFAOYSA-N
XLogP2.44
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-dichlorophenyl)-6-methyl-1,4-thiazepane
CID 66227289
(2S)-2-(4-chloro-2-fluorophenyl)aziridine
CID 55264086
(2R)-2-(2,4-dichlorophenyl)piperidine;hydrochloride
CID 171195657
2-(2,4-dichlorophenyl)azepane;hydrochloride
CID 17389702
4-(2,4-dichlorophenyl)piperidine-2,6-dione
CID 63156604
(4S)-4-(2,4-dichlorophenyl)-1,3-oxazinan-2-one
CID 171185910
5-(2,4-dichlorophenyl)-1,3-oxazolidine
CID 142653590
5-(4-bromo-2-chlorophenyl)-2-methyl-1,4-thiazinane 1-oxide
CID 82781806
3-(2-chloro-4-fluorophenyl)-5-methyl-1,4-thiazinane 1,1-dioxide
CID 66217941
5-(2,4-dichlorophenyl)-3,3-dimethylpiperidine
CID 82300275
1-[5-(2,4-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]-4-methylpiperazine;hydrochloride
CID 70620008
methyl N-[5-(2,4-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate
CID 22756544

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-2-methyl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 5-(2,4-dichlorophenyl)-2-methyl-1,4-thiazinane 1,1-dioxide (CID 66241664) is 5-(2,4-dichlorophenyl)-2-methyl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-2-methyl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 5-(2,4-dichlorophenyl)-2-methyl-1,4-thiazinane 1,1-dioxide is CC1CNC(c2ccc(Cl)cc2Cl)CS1(=O)=O.
What is the InChIKey of 5-(2,4-dichlorophenyl)-2-methyl-1,4-thiazinane 1,1-dioxide?
The InChIKey is BWSMJVSCLQOTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO2S/c1-7-5-14-11(6-17(7,15)16)9-3-2-8(12)4-10(9)13/h2-4,7,11,14H,5-6H2,1H3.
What are the key properties of 5-(2,4-dichlorophenyl)-2-methyl-1,4-thiazinane 1,1-dioxide?
5-(2,4-dichlorophenyl)-2-methyl-1,4-thiazinane 1,1-dioxide has a molecular weight of 294.20 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)-2-methyl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 66241664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).