4-methyl-2-(thiolan-3-yl)-1,3-oxazolidine;hydrochloride

C8H16ClNOS — CID 117227601

IUPAC4-methyl-2-(thiolan-3-yl)-1,3-oxazolidine;hydrochloride
SMILESCC1COC(C2CCSC2)N1.Cl
InChIInChI=1S/C8H15NOS.ClH/c1-6-4-10-8(9-6)7-2-3-11-5-7;/h6-9H,2-5H2,1H3;1H
InChIKeyFHINTSGAZIUHGF-UHFFFAOYSA-N
MW209.74 g/mol
LogP1.50
Rot. Bonds1

About 4-methyl-2-(thiolan-3-yl)-1,3-oxazolidine;hydrochloride

4-methyl-2-(thiolan-3-yl)-1,3-oxazolidine;hydrochloride (PubChem CID 117227601) has the molecular formula C8H16ClNOS and a molecular weight of 209.74 g/mol. Its IUPAC name is 4-methyl-2-(thiolan-3-yl)-1,3-oxazolidine;hydrochloride.

Molecular Properties

Compound Name4-methyl-2-(thiolan-3-yl)-1,3-oxazolidine;hydrochloride
PubChem CID117227601
Molecular FormulaC8H16ClNOS
Molecular Weight209.74 g/mol
Exact Mass209.06
IUPAC Name4-methyl-2-(thiolan-3-yl)-1,3-oxazolidine;hydrochloride
SMILESCC1COC(C2CCSC2)N1.Cl
InChIInChI=1S/C8H15NOS.ClH/c1-6-4-10-8(9-6)7-2-3-11-5-7;/h6-9H,2-5H2,1H3;1H
InChIKeyFHINTSGAZIUHGF-UHFFFAOYSA-N
XLogP1.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.74
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(thiolan-3-yl)-1,3-oxazolidine;hydrochloride?
The IUPAC name of 4-methyl-2-(thiolan-3-yl)-1,3-oxazolidine;hydrochloride (CID 117227601) is 4-methyl-2-(thiolan-3-yl)-1,3-oxazolidine;hydrochloride.
What is the SMILES notation for 4-methyl-2-(thiolan-3-yl)-1,3-oxazolidine;hydrochloride?
The canonical SMILES for 4-methyl-2-(thiolan-3-yl)-1,3-oxazolidine;hydrochloride is CC1COC(C2CCSC2)N1.Cl.
What is the InChIKey of 4-methyl-2-(thiolan-3-yl)-1,3-oxazolidine;hydrochloride?
The InChIKey is FHINTSGAZIUHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NOS.ClH/c1-6-4-10-8(9-6)7-2-3-11-5-7;/h6-9H,2-5H2,1H3;1H.
What are the key properties of 4-methyl-2-(thiolan-3-yl)-1,3-oxazolidine;hydrochloride?
4-methyl-2-(thiolan-3-yl)-1,3-oxazolidine;hydrochloride has a molecular weight of 209.74 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(thiolan-3-yl)-1,3-oxazolidine;hydrochloride is sourced from PubChem (CID 117227601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).