2-[2-(2-chlorophenyl)ethyl]thiazinane 1,1-dioxide

C12H16ClNO2S — CID 94698244

IUPAC2-[2-(2-chlorophenyl)ethyl]thiazinane 1,1-dioxide
SMILESO=S1(=O)CCCCN1CCc1ccccc1Cl
InChIInChI=1S/C12H16ClNO2S/c13-12-6-2-1-5-11(12)7-9-14-8-3-4-10-17(14,15)16/h1-2,5-6H,3-4,7-10H2
InChIKeyAMYAIZMEAORYKO-UHFFFAOYSA-N
MW273.78 g/mol
LogP2.31
Rot. Bonds3

About 2-[2-(2-chlorophenyl)ethyl]thiazinane 1,1-dioxide

2-[2-(2-chlorophenyl)ethyl]thiazinane 1,1-dioxide (PubChem CID 94698244) has the molecular formula C12H16ClNO2S and a molecular weight of 273.78 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)ethyl]thiazinane 1,1-dioxide.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)ethyl]thiazinane 1,1-dioxide
PubChem CID94698244
Molecular FormulaC12H16ClNO2S
Molecular Weight273.78 g/mol
Exact Mass273.06
IUPAC Name2-[2-(2-chlorophenyl)ethyl]thiazinane 1,1-dioxide
SMILESO=S1(=O)CCCCN1CCc1ccccc1Cl
InChIInChI=1S/C12H16ClNO2S/c13-12-6-2-1-5-11(12)7-9-14-8-3-4-10-17(14,15)16/h1-2,5-6H,3-4,7-10H2
InChIKeyAMYAIZMEAORYKO-UHFFFAOYSA-N
XLogP2.31
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.78
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(2-methoxyphenyl)ethyl]-1,2-thiazolidine 1,1-dioxide
CID 82132117
2-[(2,6-dichlorophenyl)methyl]thiazinane 1,1-dioxide
CID 134095007
2-[2-(2,4-dimethylphenyl)ethyl]thiazinane 1,1-dioxide
CID 82134039
[2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]phenyl]methanamine
CID 43619971
1-(2-chlorophenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanone
CID 62025819
3-(1,1-dioxothiazinan-2-yl)-N-phenylpropanamide
CID 110687886
N-(3-chloro-2-methylphenyl)-3-(1,1-dioxothiazinan-2-yl)propanamide
CID 110687915
N-[3-(1,1-dioxothiazinan-2-yl)propyl]-2-(2-methylphenyl)acetamide
CID 110721036
4-[(1,1-dioxothiazinan-2-yl)methyl]aniline
CID 83824828
2-[(2-chlorophenyl)methyl]-6-[(4-ethenylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide
CID 20952594
N-[2-(2-chlorophenyl)ethyl]-1-methylpiperidin-4-amine
CID 23931096
7-(2-chlorophenyl)-1-pyrrolidin-1-ylheptan-1-one
CID 155511120

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)ethyl]thiazinane 1,1-dioxide?
The IUPAC name of 2-[2-(2-chlorophenyl)ethyl]thiazinane 1,1-dioxide (CID 94698244) is 2-[2-(2-chlorophenyl)ethyl]thiazinane 1,1-dioxide.
What is the SMILES notation for 2-[2-(2-chlorophenyl)ethyl]thiazinane 1,1-dioxide?
The canonical SMILES for 2-[2-(2-chlorophenyl)ethyl]thiazinane 1,1-dioxide is O=S1(=O)CCCCN1CCc1ccccc1Cl.
What is the InChIKey of 2-[2-(2-chlorophenyl)ethyl]thiazinane 1,1-dioxide?
The InChIKey is AMYAIZMEAORYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2S/c13-12-6-2-1-5-11(12)7-9-14-8-3-4-10-17(14,15)16/h1-2,5-6H,3-4,7-10H2.
What are the key properties of 2-[2-(2-chlorophenyl)ethyl]thiazinane 1,1-dioxide?
2-[2-(2-chlorophenyl)ethyl]thiazinane 1,1-dioxide has a molecular weight of 273.78 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)ethyl]thiazinane 1,1-dioxide is sourced from PubChem (CID 94698244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).