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

C7H16ClNOS — CID 119030985

IUPAC2-ethyl-6-methyl-1,4-thiazinane 1-oxide;hydrochloride
SMILESCCC1CNCC(C)S1=O.Cl
InChIInChI=1S/C7H15NOS.ClH/c1-3-7-5-8-4-6(2)10(7)9;/h6-8H,3-5H2,1-2H3;1H
InChIKeyYHAVDHKTNNGMTE-UHFFFAOYSA-N
MW197.73 g/mol
LogP0.93
Rot. Bonds1

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

2-ethyl-6-methyl-1,4-thiazinane 1-oxide;hydrochloride (PubChem CID 119030985) has the molecular formula C7H16ClNOS and a molecular weight of 197.73 g/mol. Its IUPAC name is 2-ethyl-6-methyl-1,4-thiazinane 1-oxide;hydrochloride.

Molecular Properties

Compound Name2-ethyl-6-methyl-1,4-thiazinane 1-oxide;hydrochloride
PubChem CID119030985
Molecular FormulaC7H16ClNOS
Molecular Weight197.73 g/mol
Exact Mass197.06
IUPAC Name2-ethyl-6-methyl-1,4-thiazinane 1-oxide;hydrochloride
SMILESCCC1CNCC(C)S1=O.Cl
InChIInChI=1S/C7H15NOS.ClH/c1-3-7-5-8-4-6(2)10(7)9;/h6-8H,3-5H2,1-2H3;1H
InChIKeyYHAVDHKTNNGMTE-UHFFFAOYSA-N
XLogP0.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.73
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methyl-1,4-thiazinane 1-oxide;hydrochloride?
The IUPAC name of 2-ethyl-6-methyl-1,4-thiazinane 1-oxide;hydrochloride (CID 119030985) is 2-ethyl-6-methyl-1,4-thiazinane 1-oxide;hydrochloride.
What is the SMILES notation for 2-ethyl-6-methyl-1,4-thiazinane 1-oxide;hydrochloride?
The canonical SMILES for 2-ethyl-6-methyl-1,4-thiazinane 1-oxide;hydrochloride is CCC1CNCC(C)S1=O.Cl.
What is the InChIKey of 2-ethyl-6-methyl-1,4-thiazinane 1-oxide;hydrochloride?
The InChIKey is YHAVDHKTNNGMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS.ClH/c1-3-7-5-8-4-6(2)10(7)9;/h6-8H,3-5H2,1-2H3;1H.
What are the key properties of 2-ethyl-6-methyl-1,4-thiazinane 1-oxide;hydrochloride?
2-ethyl-6-methyl-1,4-thiazinane 1-oxide;hydrochloride has a molecular weight of 197.73 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methyl-1,4-thiazinane 1-oxide;hydrochloride is sourced from PubChem (CID 119030985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).