5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazinane;hydrochloride

C10H16ClNOS — CID 117226712

IUPAC5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazinane;hydrochloride
SMILESCc1ccc(C2NCC(C)CO2)s1.Cl
InChIInChI=1S/C10H15NOS.ClH/c1-7-5-11-10(12-6-7)9-4-3-8(2)13-9;/h3-4,7,10-11H,5-6H2,1-2H3;1H
InChIKeyQWKKHJKDOFGKJT-UHFFFAOYSA-N
MW233.76 g/mol
LogP2.73
Rot. Bonds1

About 5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazinane;hydrochloride

5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazinane;hydrochloride (PubChem CID 117226712) has the molecular formula C10H16ClNOS and a molecular weight of 233.76 g/mol. Its IUPAC name is 5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazinane;hydrochloride.

Molecular Properties

Compound Name5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazinane;hydrochloride
PubChem CID117226712
Molecular FormulaC10H16ClNOS
Molecular Weight233.76 g/mol
Exact Mass233.06
IUPAC Name5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazinane;hydrochloride
SMILESCc1ccc(C2NCC(C)CO2)s1.Cl
InChIInChI=1S/C10H15NOS.ClH/c1-7-5-11-10(12-6-7)9-4-3-8(2)13-9;/h3-4,7,10-11H,5-6H2,1-2H3;1H
InChIKeyQWKKHJKDOFGKJT-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.76
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Methoxymethyl)-5-(piperidinomethyl)thiophene
CID 129803685
2-methyl-N-[[5-(2,2,2-trifluoroethoxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 107557999
N-[[5-(2,2,2-trifluoroethoxymethyl)thiophen-2-yl]methyl]ethanamine
CID 107558000
N-methyl-1-[5-(2,2,2-trifluoroethoxymethyl)thiophen-2-yl]methanamine
CID 107558001
2-methyl-N-[[5-(2,2,3,3-tetrafluoropropoxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 107558142
N-[[5-(2,2,3,3-tetrafluoropropoxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 107558143
N-[[5-(2,2,3,3-tetrafluoropropoxymethyl)thiophen-2-yl]methyl]propan-2-amine
CID 107558146
2-methyl-N-[[5-(2,2,3,3-tetrafluoropropoxymethyl)thiophen-2-yl]methyl]propan-2-amine
CID 107558147
2-methyl-N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 107559061
N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)thiophen-2-yl]methyl]ethanamine
CID 107559062
N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)thiophen-2-yl]methyl]propan-2-amine
CID 107559066
2-methyl-N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)thiophen-2-yl]methyl]propan-2-amine
CID 107559067

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazinane;hydrochloride?
The IUPAC name of 5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazinane;hydrochloride (CID 117226712) is 5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazinane;hydrochloride.
What is the SMILES notation for 5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazinane;hydrochloride?
The canonical SMILES for 5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazinane;hydrochloride is Cc1ccc(C2NCC(C)CO2)s1.Cl.
What is the InChIKey of 5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazinane;hydrochloride?
The InChIKey is QWKKHJKDOFGKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS.ClH/c1-7-5-11-10(12-6-7)9-4-3-8(2)13-9;/h3-4,7,10-11H,5-6H2,1-2H3;1H.
What are the key properties of 5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazinane;hydrochloride?
5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazinane;hydrochloride has a molecular weight of 233.76 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazinane;hydrochloride is sourced from PubChem (CID 117226712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).