2-[2-(2,4-dimethylphenyl)ethyl]thiazinane 1,1-dioxide

C14H21NO2S — CID 82134039

IUPAC2-[2-(2,4-dimethylphenyl)ethyl]thiazinane 1,1-dioxide
SMILESCc1ccc(CCN2CCCCS2(=O)=O)c(C)c1
InChIInChI=1S/C14H21NO2S/c1-12-5-6-14(13(2)11-12)7-9-15-8-3-4-10-18(15,16)17/h5-6,11H,3-4,7-10H2,1-2H3
InChIKeyHPQAUGWXLMOTPG-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.27
Rot. Bonds3

About 2-[2-(2,4-dimethylphenyl)ethyl]thiazinane 1,1-dioxide

2-[2-(2,4-dimethylphenyl)ethyl]thiazinane 1,1-dioxide (PubChem CID 82134039) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 2-[2-(2,4-dimethylphenyl)ethyl]thiazinane 1,1-dioxide.

Molecular Properties

Compound Name2-[2-(2,4-dimethylphenyl)ethyl]thiazinane 1,1-dioxide
PubChem CID82134039
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name2-[2-(2,4-dimethylphenyl)ethyl]thiazinane 1,1-dioxide
SMILESCc1ccc(CCN2CCCCS2(=O)=O)c(C)c1
InChIInChI=1S/C14H21NO2S/c1-12-5-6-14(13(2)11-12)7-9-15-8-3-4-10-18(15,16)17/h5-6,11H,3-4,7-10H2,1-2H3
InChIKeyHPQAUGWXLMOTPG-UHFFFAOYSA-N
XLogP2.27
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R)-2-(2,4-dimethylphenyl)-1-[3-(1,1-dioxothiazinan-2-yl)propanoylamino]ethyl]boronic acid
CID 140880178
[(1R)-2-(2,4-dimethylphenyl)-1-[3-(1,1-dioxothiazinan-2-yl)propanoylamino]ethoxy]boronic acid
CID 142772126
2-[(2-methoxy-5-methylphenyl)methyl]thiazinane 1,1-dioxide
CID 82134338
2-(2,4-dimethylphenyl)thiazinane 1,1-dioxide
CID 82084355
1-[2-(2,4-dimethylphenyl)ethyl]piperidine-2,6-dione
CID 82130524
2-[2-(4-methoxy-3-methylphenyl)ethyl]-1,2-thiazolidine 1,1-dioxide
CID 82134337
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-methylaniline
CID 62565429
3-(1,1-dioxothiazinan-2-yl)-N-ethyl-N-(3-methylphenyl)propanamide
CID 110687960
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-hydroxy-5-methylbenzamide
CID 49090758
2-(2,4-dimethylphenyl)-1-pyrrolidin-1-ylethanone
CID 95970810
2-[2-(3,5-dimethylphenoxy)ethyl]-1,2-thiazolidine 1,1-dioxide
CID 82134347
N-[3-(1,1-dioxothiazinan-2-yl)propyl]-2-(2-methylphenyl)acetamide
CID 110721036

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dimethylphenyl)ethyl]thiazinane 1,1-dioxide?
The IUPAC name of 2-[2-(2,4-dimethylphenyl)ethyl]thiazinane 1,1-dioxide (CID 82134039) is 2-[2-(2,4-dimethylphenyl)ethyl]thiazinane 1,1-dioxide.
What is the SMILES notation for 2-[2-(2,4-dimethylphenyl)ethyl]thiazinane 1,1-dioxide?
The canonical SMILES for 2-[2-(2,4-dimethylphenyl)ethyl]thiazinane 1,1-dioxide is Cc1ccc(CCN2CCCCS2(=O)=O)c(C)c1.
What is the InChIKey of 2-[2-(2,4-dimethylphenyl)ethyl]thiazinane 1,1-dioxide?
The InChIKey is HPQAUGWXLMOTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-12-5-6-14(13(2)11-12)7-9-15-8-3-4-10-18(15,16)17/h5-6,11H,3-4,7-10H2,1-2H3.
What are the key properties of 2-[2-(2,4-dimethylphenyl)ethyl]thiazinane 1,1-dioxide?
2-[2-(2,4-dimethylphenyl)ethyl]thiazinane 1,1-dioxide has a molecular weight of 267.39 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dimethylphenyl)ethyl]thiazinane 1,1-dioxide is sourced from PubChem (CID 82134039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).