2-ethyl-6-methyl-1,4-thiazinane 1,1-dioxide;hydrochloride

C7H16ClNO2S — CID 119031292

IUPAC2-ethyl-6-methyl-1,4-thiazinane 1,1-dioxide;hydrochloride
SMILESCCC1CNCC(C)S1(=O)=O.Cl
InChIInChI=1S/C7H15NO2S.ClH/c1-3-7-5-8-4-6(2)11(7,9)10;/h6-8H,3-5H2,1-2H3;1H
InChIKeyJGZPVWPQQSUDTP-UHFFFAOYSA-N
MW213.73 g/mol
LogP0.59
Rot. Bonds1

About 2-ethyl-6-methyl-1,4-thiazinane 1,1-dioxide;hydrochloride

2-ethyl-6-methyl-1,4-thiazinane 1,1-dioxide;hydrochloride (PubChem CID 119031292) has the molecular formula C7H16ClNO2S and a molecular weight of 213.73 g/mol. Its IUPAC name is 2-ethyl-6-methyl-1,4-thiazinane 1,1-dioxide;hydrochloride.

Molecular Properties

Compound Name2-ethyl-6-methyl-1,4-thiazinane 1,1-dioxide;hydrochloride
PubChem CID119031292
Molecular FormulaC7H16ClNO2S
Molecular Weight213.73 g/mol
Exact Mass213.06
IUPAC Name2-ethyl-6-methyl-1,4-thiazinane 1,1-dioxide;hydrochloride
SMILESCCC1CNCC(C)S1(=O)=O.Cl
InChIInChI=1S/C7H15NO2S.ClH/c1-3-7-5-8-4-6(2)11(7,9)10;/h6-8H,3-5H2,1-2H3;1H
InChIKeyJGZPVWPQQSUDTP-UHFFFAOYSA-N
XLogP0.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.73
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-2-ethyl-6-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 128833216
7-ethyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]thiazine 1,1-dioxide
CID 66243296
4-(azetidin-3-yl)-2,6-dimethyl-1,4-thiazinane 1,1-dioxide
CID 130791969
1-ethyl-2,6-dimethylpiperazine;dihydrochloride
CID 122360216
3-[(Z)-but-1-enyl]azetidine
CID 126845384
(3R,4S)-4-ethylpyrrolidine-3-carboxylic acid
CID 58977392
(3S,4S)-4-ethylpyrrolidin-3-ol;hydrochloride
CID 90897311
1-(azetidin-3-yl)propan-1-one;hydrochloride
CID 142435570
(3R,4R)-3-ethyl-4-fluoropyrrolidine;hydrochloride
CID 167714876
2,6-dimethylmorpholine;propane
CID 143985013
(3aR,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;dihydrochloride
CID 135393186
ethane;3-methylazetidine
CID 90730870

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methyl-1,4-thiazinane 1,1-dioxide;hydrochloride?
The IUPAC name of 2-ethyl-6-methyl-1,4-thiazinane 1,1-dioxide;hydrochloride (CID 119031292) is 2-ethyl-6-methyl-1,4-thiazinane 1,1-dioxide;hydrochloride.
What is the SMILES notation for 2-ethyl-6-methyl-1,4-thiazinane 1,1-dioxide;hydrochloride?
The canonical SMILES for 2-ethyl-6-methyl-1,4-thiazinane 1,1-dioxide;hydrochloride is CCC1CNCC(C)S1(=O)=O.Cl.
What is the InChIKey of 2-ethyl-6-methyl-1,4-thiazinane 1,1-dioxide;hydrochloride?
The InChIKey is JGZPVWPQQSUDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S.ClH/c1-3-7-5-8-4-6(2)11(7,9)10;/h6-8H,3-5H2,1-2H3;1H.
What are the key properties of 2-ethyl-6-methyl-1,4-thiazinane 1,1-dioxide;hydrochloride?
2-ethyl-6-methyl-1,4-thiazinane 1,1-dioxide;hydrochloride has a molecular weight of 213.73 g/mol, XLogP of 0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methyl-1,4-thiazinane 1,1-dioxide;hydrochloride is sourced from PubChem (CID 119031292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).