(2S)-2-ethyl-2-(3-methoxyphenyl)-4-methyl-1,4-thiazinane 1-oxide;hydrochloride

C14H22ClNO2S — CID 70508703

IUPAC(2S)-2-ethyl-2-(3-methoxyphenyl)-4-methyl-1,4-thiazinane 1-oxide;hydrochloride
SMILESCC[C@]1(c2cccc(OC)c2)CN(C)CCS1=O.Cl
InChIInChI=1S/C14H21NO2S.ClH/c1-4-14(11-15(2)8-9-18(14)16)12-6-5-7-13(10-12)17-3;/h5-7,10H,4,8-9,11H2,1-3H3;1H/t14-,18?;/m1./s1
InChIKeyMKXPFNDOBTZKJO-BSOSYTQUSA-N
MW303.86 g/mol
LogP2.42
Rot. Bonds3

About (2S)-2-ethyl-2-(3-methoxyphenyl)-4-methyl-1,4-thiazinane 1-oxide;hydrochloride

(2S)-2-ethyl-2-(3-methoxyphenyl)-4-methyl-1,4-thiazinane 1-oxide;hydrochloride (PubChem CID 70508703) has the molecular formula C14H22ClNO2S and a molecular weight of 303.86 g/mol. Its IUPAC name is (2S)-2-ethyl-2-(3-methoxyphenyl)-4-methyl-1,4-thiazinane 1-oxide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-ethyl-2-(3-methoxyphenyl)-4-methyl-1,4-thiazinane 1-oxide;hydrochloride
PubChem CID70508703
Molecular FormulaC14H22ClNO2S
Molecular Weight303.86 g/mol
Exact Mass303.11
IUPAC Name(2S)-2-ethyl-2-(3-methoxyphenyl)-4-methyl-1,4-thiazinane 1-oxide;hydrochloride
SMILESCC[C@]1(c2cccc(OC)c2)CN(C)CCS1=O.Cl
InChIInChI=1S/C14H21NO2S.ClH/c1-4-14(11-15(2)8-9-18(14)16)12-6-5-7-13(10-12)17-3;/h5-7,10H,4,8-9,11H2,1-3H3;1H/t14-,18?;/m1./s1
InChIKeyMKXPFNDOBTZKJO-BSOSYTQUSA-N
XLogP2.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.86
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethyl-2-(3-methoxyphenyl)-4-methyl-1,4-thiazinane 1-oxide;hydrochloride?
The IUPAC name of (2S)-2-ethyl-2-(3-methoxyphenyl)-4-methyl-1,4-thiazinane 1-oxide;hydrochloride (CID 70508703) is (2S)-2-ethyl-2-(3-methoxyphenyl)-4-methyl-1,4-thiazinane 1-oxide;hydrochloride.
What is the SMILES notation for (2S)-2-ethyl-2-(3-methoxyphenyl)-4-methyl-1,4-thiazinane 1-oxide;hydrochloride?
The canonical SMILES for (2S)-2-ethyl-2-(3-methoxyphenyl)-4-methyl-1,4-thiazinane 1-oxide;hydrochloride is CC[C@]1(c2cccc(OC)c2)CN(C)CCS1=O.Cl.
What is the InChIKey of (2S)-2-ethyl-2-(3-methoxyphenyl)-4-methyl-1,4-thiazinane 1-oxide;hydrochloride?
The InChIKey is MKXPFNDOBTZKJO-BSOSYTQUSA-N. The full InChI is InChI=1S/C14H21NO2S.ClH/c1-4-14(11-15(2)8-9-18(14)16)12-6-5-7-13(10-12)17-3;/h5-7,10H,4,8-9,11H2,1-3H3;1H/t14-,18?;/m1./s1.
What are the key properties of (2S)-2-ethyl-2-(3-methoxyphenyl)-4-methyl-1,4-thiazinane 1-oxide;hydrochloride?
(2S)-2-ethyl-2-(3-methoxyphenyl)-4-methyl-1,4-thiazinane 1-oxide;hydrochloride has a molecular weight of 303.86 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethyl-2-(3-methoxyphenyl)-4-methyl-1,4-thiazinane 1-oxide;hydrochloride is sourced from PubChem (CID 70508703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).