2-(4-methylphenyl)-1,3-thiazinane;hydrochloride

C11H16ClNS — CID 3061413

IUPAC2-(4-methylphenyl)-1,3-thiazinane;hydrochloride
SMILESCc1ccc(C2NCCCS2)cc1.Cl
InChIInChI=1S/C11H15NS.ClH/c1-9-3-5-10(6-4-9)11-12-7-2-8-13-11;/h3-6,11-12H,2,7-8H2,1H3;1H
InChIKeyRCUPVGZJNJUENQ-UHFFFAOYSA-N
MW229.78 g/mol
LogP3.14
Rot. Bonds1

About 2-(4-methylphenyl)-1,3-thiazinane;hydrochloride

2-(4-methylphenyl)-1,3-thiazinane;hydrochloride (PubChem CID 3061413) has the molecular formula C11H16ClNS and a molecular weight of 229.78 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1,3-thiazinane;hydrochloride.

Molecular Properties

Compound Name2-(4-methylphenyl)-1,3-thiazinane;hydrochloride
PubChem CID3061413
Molecular FormulaC11H16ClNS
Molecular Weight229.78 g/mol
Exact Mass229.07
IUPAC Name2-(4-methylphenyl)-1,3-thiazinane;hydrochloride
SMILESCc1ccc(C2NCCCS2)cc1.Cl
InChIInChI=1S/C11H15NS.ClH/c1-9-3-5-10(6-4-9)11-12-7-2-8-13-11;/h3-6,11-12H,2,7-8H2,1H3;1H
InChIKeyRCUPVGZJNJUENQ-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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Related Compounds

NoName_3177
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2-Phenylthiazolidine
CID 20706
2-Phenylthiomorpholine
CID 5004199
4-(4-Methylbenzyl)thiomorpholine
CID 785812
4-(3-Methylbenzyl)thiomorpholine
CID 792738
4-(4-Isopropylbenzyl)thiomorpholine
CID 792753
4-(4-Ethylbenzyl)thiomorpholine
CID 792772
NoName_3176
CID 3058932
5-Methyl-2-phenylthiazolidine
CID 576329
2H-1,3-Thiazine, tetrahydro-2-phenyl-
CID 97990
2-Methyl-2-phenylthiazolidine
CID 120795
Thiazolidine, 2-(p-fluorophenyl)-
CID 3050852

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-1,3-thiazinane;hydrochloride?
The IUPAC name of 2-(4-methylphenyl)-1,3-thiazinane;hydrochloride (CID 3061413) is 2-(4-methylphenyl)-1,3-thiazinane;hydrochloride.
What is the SMILES notation for 2-(4-methylphenyl)-1,3-thiazinane;hydrochloride?
The canonical SMILES for 2-(4-methylphenyl)-1,3-thiazinane;hydrochloride is Cc1ccc(C2NCCCS2)cc1.Cl.
What is the InChIKey of 2-(4-methylphenyl)-1,3-thiazinane;hydrochloride?
The InChIKey is RCUPVGZJNJUENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NS.ClH/c1-9-3-5-10(6-4-9)11-12-7-2-8-13-11;/h3-6,11-12H,2,7-8H2,1H3;1H.
What are the key properties of 2-(4-methylphenyl)-1,3-thiazinane;hydrochloride?
2-(4-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-(4-methylphenyl)-1,3-thiazinane;hydrochloride is sourced from PubChem (CID 3061413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).