2-[(2,6-dichlorophenyl)methyl]thiazinane 1,1-dioxide

C11H13Cl2NO2S — CID 134095007

IUPAC2-[(2,6-dichlorophenyl)methyl]thiazinane 1,1-dioxide
SMILESO=S1(=O)CCCCN1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C11H13Cl2NO2S/c12-10-4-3-5-11(13)9(10)8-14-6-1-2-7-17(14,15)16/h3-5H,1-2,6-8H2
InChIKeyXXCJJEYHGRSSFW-UHFFFAOYSA-N
MW294.20 g/mol
LogP2.92
Rot. Bonds2

About 2-[(2,6-dichlorophenyl)methyl]thiazinane 1,1-dioxide

2-[(2,6-dichlorophenyl)methyl]thiazinane 1,1-dioxide (PubChem CID 134095007) has the molecular formula C11H13Cl2NO2S and a molecular weight of 294.20 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methyl]thiazinane 1,1-dioxide.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methyl]thiazinane 1,1-dioxide
PubChem CID134095007
Molecular FormulaC11H13Cl2NO2S
Molecular Weight294.20 g/mol
Exact Mass293.00
IUPAC Name2-[(2,6-dichlorophenyl)methyl]thiazinane 1,1-dioxide
SMILESO=S1(=O)CCCCN1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C11H13Cl2NO2S/c12-10-4-3-5-11(13)9(10)8-14-6-1-2-7-17(14,15)16/h3-5H,1-2,6-8H2
InChIKeyXXCJJEYHGRSSFW-UHFFFAOYSA-N
XLogP2.92
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1,1-dioxothiazinan-2-yl)methyl]aniline
CID 83824828
2-[2-(2-chlorophenyl)ethyl]thiazinane 1,1-dioxide
CID 94698244
1-(2-chlorophenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanone
CID 62025819
1-[(2,6-dichlorophenyl)methyl]azepane
CID 22198064
2-chloro-N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-6-fluorobenzamide
CID 110720919
N-(3-chloro-2-methylphenyl)-3-(1,1-dioxothiazinan-2-yl)propanamide
CID 110687915
2-[(5-chlorothiadiazol-4-yl)methyl]thiazinane 1,1-dioxide
CID 130921178
2-[(2-ethoxyphenyl)methyl]thiazinane 1,1-dioxide
CID 82134330
2-[(4-chloro-2-pyridinyl)methyl]-1,2-thiazolidine 1,1-dioxide
CID 79255737
[2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]phenyl]methanamine
CID 43619971
5-benzyl-1,4,5-oxathiazocane 4,4-dioxide
CID 24816470
3-chloro-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]aniline
CID 62566005

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methyl]thiazinane 1,1-dioxide?
The IUPAC name of 2-[(2,6-dichlorophenyl)methyl]thiazinane 1,1-dioxide (CID 134095007) is 2-[(2,6-dichlorophenyl)methyl]thiazinane 1,1-dioxide.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methyl]thiazinane 1,1-dioxide?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methyl]thiazinane 1,1-dioxide is O=S1(=O)CCCCN1Cc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methyl]thiazinane 1,1-dioxide?
The InChIKey is XXCJJEYHGRSSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO2S/c12-10-4-3-5-11(13)9(10)8-14-6-1-2-7-17(14,15)16/h3-5H,1-2,6-8H2.
What are the key properties of 2-[(2,6-dichlorophenyl)methyl]thiazinane 1,1-dioxide?
2-[(2,6-dichlorophenyl)methyl]thiazinane 1,1-dioxide has a molecular weight of 294.20 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methyl]thiazinane 1,1-dioxide is sourced from PubChem (CID 134095007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).