2-(2-methylphenyl)-1,3-thiazinane;hydrochloride

C11H16ClNS — CID 3061417

IUPAC2-(2-methylphenyl)-1,3-thiazinane;hydrochloride
SMILESCc1ccccc1C1NCCCS1.Cl
InChIInChI=1S/C11H15NS.ClH/c1-9-5-2-3-6-10(9)11-12-7-4-8-13-11;/h2-3,5-6,11-12H,4,7-8H2,1H3;1H
InChIKeyBASKGMVJSACIBA-UHFFFAOYSA-N
MW229.78 g/mol
LogP3.14
Rot. Bonds1

About 2-(2-methylphenyl)-1,3-thiazinane;hydrochloride

2-(2-methylphenyl)-1,3-thiazinane;hydrochloride (PubChem CID 3061417) has the molecular formula C11H16ClNS and a molecular weight of 229.78 g/mol. Its IUPAC name is 2-(2-methylphenyl)-1,3-thiazinane;hydrochloride.

Molecular Properties

Compound Name2-(2-methylphenyl)-1,3-thiazinane;hydrochloride
PubChem CID3061417
Molecular FormulaC11H16ClNS
Molecular Weight229.78 g/mol
Exact Mass229.07
IUPAC Name2-(2-methylphenyl)-1,3-thiazinane;hydrochloride
SMILESCc1ccccc1C1NCCCS1.Cl
InChIInChI=1S/C11H15NS.ClH/c1-9-5-2-3-6-10(9)11-12-7-4-8-13-11;/h2-3,5-6,11-12H,4,7-8H2,1H3;1H
InChIKeyBASKGMVJSACIBA-UHFFFAOYSA-N
XLogP3.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.78
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-1,3-thiazinane;hydrochloride?
The IUPAC name of 2-(2-methylphenyl)-1,3-thiazinane;hydrochloride (CID 3061417) is 2-(2-methylphenyl)-1,3-thiazinane;hydrochloride.
What is the SMILES notation for 2-(2-methylphenyl)-1,3-thiazinane;hydrochloride?
The canonical SMILES for 2-(2-methylphenyl)-1,3-thiazinane;hydrochloride is Cc1ccccc1C1NCCCS1.Cl.
What is the InChIKey of 2-(2-methylphenyl)-1,3-thiazinane;hydrochloride?
The InChIKey is BASKGMVJSACIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NS.ClH/c1-9-5-2-3-6-10(9)11-12-7-4-8-13-11;/h2-3,5-6,11-12H,4,7-8H2,1H3;1H.
What are the key properties of 2-(2-methylphenyl)-1,3-thiazinane;hydrochloride?
2-(2-methylphenyl)-1,3-thiazinane;hydrochloride has a molecular weight of 229.78 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-1,3-thiazinane;hydrochloride is sourced from PubChem (CID 3061417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).