(1S,2R)-2-ethyl-4-methyl-2-phenyl-1,4-thiazinane 1-oxide;hydrochloride

C13H20ClNOS — CID 173424902

IUPAC(1S,2R)-2-ethyl-4-methyl-2-phenyl-1,4-thiazinane 1-oxide;hydrochloride
SMILESCC[C@@]1(c2ccccc2)CN(C)CC[S@@]1=O.Cl
InChIInChI=1S/C13H19NOS.ClH/c1-3-13(12-7-5-4-6-8-12)11-14(2)9-10-16(13)15;/h4-8H,3,9-11H2,1-2H3;1H/t13-,16-;/m0./s1
InChIKeyUZWHZPNFWXUJBE-LINSIKMZSA-N
MW273.83 g/mol
LogP2.41
Rot. Bonds2

About (1S,2R)-2-ethyl-4-methyl-2-phenyl-1,4-thiazinane 1-oxide;hydrochloride

(1S,2R)-2-ethyl-4-methyl-2-phenyl-1,4-thiazinane 1-oxide;hydrochloride (PubChem CID 173424902) has the molecular formula C13H20ClNOS and a molecular weight of 273.83 g/mol. Its IUPAC name is (1S,2R)-2-ethyl-4-methyl-2-phenyl-1,4-thiazinane 1-oxide;hydrochloride.

Molecular Properties

Compound Name(1S,2R)-2-ethyl-4-methyl-2-phenyl-1,4-thiazinane 1-oxide;hydrochloride
PubChem CID173424902
Molecular FormulaC13H20ClNOS
Molecular Weight273.83 g/mol
Exact Mass273.10
IUPAC Name(1S,2R)-2-ethyl-4-methyl-2-phenyl-1,4-thiazinane 1-oxide;hydrochloride
SMILESCC[C@@]1(c2ccccc2)CN(C)CC[S@@]1=O.Cl
InChIInChI=1S/C13H19NOS.ClH/c1-3-13(12-7-5-4-6-8-12)11-14(2)9-10-16(13)15;/h4-8H,3,9-11H2,1-2H3;1H/t13-,16-;/m0./s1
InChIKeyUZWHZPNFWXUJBE-LINSIKMZSA-N
XLogP2.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.83
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-ethyl-4-methyl-2-phenyl-1,4-thiazinane 1-oxide;hydrochloride?
The IUPAC name of (1S,2R)-2-ethyl-4-methyl-2-phenyl-1,4-thiazinane 1-oxide;hydrochloride (CID 173424902) is (1S,2R)-2-ethyl-4-methyl-2-phenyl-1,4-thiazinane 1-oxide;hydrochloride.
What is the SMILES notation for (1S,2R)-2-ethyl-4-methyl-2-phenyl-1,4-thiazinane 1-oxide;hydrochloride?
The canonical SMILES for (1S,2R)-2-ethyl-4-methyl-2-phenyl-1,4-thiazinane 1-oxide;hydrochloride is CC[C@@]1(c2ccccc2)CN(C)CC[S@@]1=O.Cl.
What is the InChIKey of (1S,2R)-2-ethyl-4-methyl-2-phenyl-1,4-thiazinane 1-oxide;hydrochloride?
The InChIKey is UZWHZPNFWXUJBE-LINSIKMZSA-N. The full InChI is InChI=1S/C13H19NOS.ClH/c1-3-13(12-7-5-4-6-8-12)11-14(2)9-10-16(13)15;/h4-8H,3,9-11H2,1-2H3;1H/t13-,16-;/m0./s1.
What are the key properties of (1S,2R)-2-ethyl-4-methyl-2-phenyl-1,4-thiazinane 1-oxide;hydrochloride?
(1S,2R)-2-ethyl-4-methyl-2-phenyl-1,4-thiazinane 1-oxide;hydrochloride has a molecular weight of 273.83 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-ethyl-4-methyl-2-phenyl-1,4-thiazinane 1-oxide;hydrochloride is sourced from PubChem (CID 173424902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).