2-[(2-ethoxyphenyl)methyl]thiazinane 1,1-dioxide

C13H19NO3S — CID 82134330

IUPAC2-[(2-ethoxyphenyl)methyl]thiazinane 1,1-dioxide
SMILESCCOc1ccccc1CN1CCCCS1(=O)=O
InChIInChI=1S/C13H19NO3S/c1-2-17-13-8-4-3-7-12(13)11-14-9-5-6-10-18(14,15)16/h3-4,7-8H,2,5-6,9-11H2,1H3
InChIKeyNLYCCTIBEZKHJQ-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.01
Rot. Bonds4

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

2-[(2-ethoxyphenyl)methyl]thiazinane 1,1-dioxide (PubChem CID 82134330) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-[(2-ethoxyphenyl)methyl]thiazinane 1,1-dioxide.

Molecular Properties

Compound Name2-[(2-ethoxyphenyl)methyl]thiazinane 1,1-dioxide
PubChem CID82134330
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name2-[(2-ethoxyphenyl)methyl]thiazinane 1,1-dioxide
SMILESCCOc1ccccc1CN1CCCCS1(=O)=O
InChIInChI=1S/C13H19NO3S/c1-2-17-13-8-4-3-7-12(13)11-14-9-5-6-10-18(14,15)16/h3-4,7-8H,2,5-6,9-11H2,1H3
InChIKeyNLYCCTIBEZKHJQ-UHFFFAOYSA-N
XLogP2.01
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-4-ethoxyaniline
CID 43619967
1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-[(2-ethoxyphenyl)methyl]-3-ethylguanidine;hydroiodide
CID 111880732
2-[2-(2-methoxyphenyl)ethyl]-1,2-thiazolidine 1,1-dioxide
CID 82132117
2-[(2-methoxy-5-methylphenyl)methyl]thiazinane 1,1-dioxide
CID 82134338
2-[2-(2-chlorophenyl)ethyl]thiazinane 1,1-dioxide
CID 94698244
1-[(2-ethoxyphenyl)methyl]-4-methyl-1,4-diazepane-6-carboxamide
CID 127245398
1-[2-(2-ethoxyphenyl)ethyl]piperidine
CID 21117435
1-[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]azepane;hydrochloride
CID 163326473
2-[(4-fluorophenyl)methyl]thiazinane 1,1-dioxide
CID 82130195
2-[(2,6-dichlorophenyl)methyl]thiazinane 1,1-dioxide
CID 134095007
methyl 1-[(2-ethoxyphenyl)methyl]piperidine-4-carboxylate
CID 60670101
2-[2-(2-methylphenoxy)ethyl]-1,2-thiazolidine 1,1-dioxide
CID 60523237

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxyphenyl)methyl]thiazinane 1,1-dioxide?
The IUPAC name of 2-[(2-ethoxyphenyl)methyl]thiazinane 1,1-dioxide (CID 82134330) is 2-[(2-ethoxyphenyl)methyl]thiazinane 1,1-dioxide.
What is the SMILES notation for 2-[(2-ethoxyphenyl)methyl]thiazinane 1,1-dioxide?
The canonical SMILES for 2-[(2-ethoxyphenyl)methyl]thiazinane 1,1-dioxide is CCOc1ccccc1CN1CCCCS1(=O)=O.
What is the InChIKey of 2-[(2-ethoxyphenyl)methyl]thiazinane 1,1-dioxide?
The InChIKey is NLYCCTIBEZKHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-2-17-13-8-4-3-7-12(13)11-14-9-5-6-10-18(14,15)16/h3-4,7-8H,2,5-6,9-11H2,1H3.
What are the key properties of 2-[(2-ethoxyphenyl)methyl]thiazinane 1,1-dioxide?
2-[(2-ethoxyphenyl)methyl]thiazinane 1,1-dioxide has a molecular weight of 269.37 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxyphenyl)methyl]thiazinane 1,1-dioxide is sourced from PubChem (CID 82134330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).