2,4-dimethyl-2-(thiophen-2-ylmethyl)-1,3-oxazolidine;hydrochloride

C10H16ClNOS — CID 117228639

IUPAC2,4-dimethyl-2-(thiophen-2-ylmethyl)-1,3-oxazolidine;hydrochloride
SMILESCC1COC(C)(Cc2cccs2)N1.Cl
InChIInChI=1S/C10H15NOS.ClH/c1-8-7-12-10(2,11-8)6-9-4-3-5-13-9;/h3-5,8,11H,6-7H2,1-2H3;1H
InChIKeyWUIRQKAJRREYAW-UHFFFAOYSA-N
MW233.76 g/mol
LogP2.44
Rot. Bonds2

About 2,4-dimethyl-2-(thiophen-2-ylmethyl)-1,3-oxazolidine;hydrochloride

2,4-dimethyl-2-(thiophen-2-ylmethyl)-1,3-oxazolidine;hydrochloride (PubChem CID 117228639) has the molecular formula C10H16ClNOS and a molecular weight of 233.76 g/mol. Its IUPAC name is 2,4-dimethyl-2-(thiophen-2-ylmethyl)-1,3-oxazolidine;hydrochloride.

Molecular Properties

Compound Name2,4-dimethyl-2-(thiophen-2-ylmethyl)-1,3-oxazolidine;hydrochloride
PubChem CID117228639
Molecular FormulaC10H16ClNOS
Molecular Weight233.76 g/mol
Exact Mass233.06
IUPAC Name2,4-dimethyl-2-(thiophen-2-ylmethyl)-1,3-oxazolidine;hydrochloride
SMILESCC1COC(C)(Cc2cccs2)N1.Cl
InChIInChI=1S/C10H15NOS.ClH/c1-8-7-12-10(2,11-8)6-9-4-3-5-13-9;/h3-5,8,11H,6-7H2,1-2H3;1H
InChIKeyWUIRQKAJRREYAW-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.76
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dimethyl-4-(thiophen-2-ylmethyl)pyrrolidin-2-one
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CID 64845507
2,2-dimethyl-4-(thiophen-2-ylmethyl)oxan-4-ol
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1-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octane
CID 143087848
3-(bromomethyl)-2-methyl-3-(thiophen-2-ylmethyl)oxolane
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2-methyl-4-(thiophen-2-ylmethyl)oxan-4-ol
CID 65149523
2,4-dimethyl-1-(thiophen-2-ylmethyl)cyclohexan-1-ol
CID 65154121
[4,4-dimethyl-1-(thiophen-2-ylmethyl)cyclohexyl]methanamine
CID 65390783
2-[(4,4-dimethylcyclohexyl)methyl]thiophene
CID 141443372
4-methyl-1-(thiophen-2-ylmethyl)cyclohex-2-en-1-ol
CID 165491706
3-chloro-2,2-dimethyl-4-(2-thiophen-2-ylethyl)oxolane
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CID 65394284

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-2-(thiophen-2-ylmethyl)-1,3-oxazolidine;hydrochloride?
The IUPAC name of 2,4-dimethyl-2-(thiophen-2-ylmethyl)-1,3-oxazolidine;hydrochloride (CID 117228639) is 2,4-dimethyl-2-(thiophen-2-ylmethyl)-1,3-oxazolidine;hydrochloride.
What is the SMILES notation for 2,4-dimethyl-2-(thiophen-2-ylmethyl)-1,3-oxazolidine;hydrochloride?
The canonical SMILES for 2,4-dimethyl-2-(thiophen-2-ylmethyl)-1,3-oxazolidine;hydrochloride is CC1COC(C)(Cc2cccs2)N1.Cl.
What is the InChIKey of 2,4-dimethyl-2-(thiophen-2-ylmethyl)-1,3-oxazolidine;hydrochloride?
The InChIKey is WUIRQKAJRREYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS.ClH/c1-8-7-12-10(2,11-8)6-9-4-3-5-13-9;/h3-5,8,11H,6-7H2,1-2H3;1H.
What are the key properties of 2,4-dimethyl-2-(thiophen-2-ylmethyl)-1,3-oxazolidine;hydrochloride?
2,4-dimethyl-2-(thiophen-2-ylmethyl)-1,3-oxazolidine;hydrochloride has a molecular weight of 233.76 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2-(thiophen-2-ylmethyl)-1,3-oxazolidine;hydrochloride is sourced from PubChem (CID 117228639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).