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

C9H18ClNOS — CID 117227605

IUPAC2,4-dimethyl-2-(thiolan-3-yl)-1,3-oxazolidine;hydrochloride
SMILESCC1COC(C)(C2CCSC2)N1.Cl
InChIInChI=1S/C9H17NOS.ClH/c1-7-5-11-9(2,10-7)8-3-4-12-6-8;/h7-8,10H,3-6H2,1-2H3;1H
InChIKeyZMTLOHWFKZRUOH-UHFFFAOYSA-N
MW223.77 g/mol
LogP1.89
Rot. Bonds1

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

2,4-dimethyl-2-(thiolan-3-yl)-1,3-oxazolidine;hydrochloride (PubChem CID 117227605) has the molecular formula C9H18ClNOS and a molecular weight of 223.77 g/mol. Its IUPAC name is 2,4-dimethyl-2-(thiolan-3-yl)-1,3-oxazolidine;hydrochloride.

Molecular Properties

Compound Name2,4-dimethyl-2-(thiolan-3-yl)-1,3-oxazolidine;hydrochloride
PubChem CID117227605
Molecular FormulaC9H18ClNOS
Molecular Weight223.77 g/mol
Exact Mass223.08
IUPAC Name2,4-dimethyl-2-(thiolan-3-yl)-1,3-oxazolidine;hydrochloride
SMILESCC1COC(C)(C2CCSC2)N1.Cl
InChIInChI=1S/C9H17NOS.ClH/c1-7-5-11-9(2,10-7)8-3-4-12-6-8;/h7-8,10H,3-6H2,1-2H3;1H
InChIKeyZMTLOHWFKZRUOH-UHFFFAOYSA-N
XLogP1.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.77
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,4-dimethyl-2-(thiolan-3-yl)-1,3-oxazolidine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dimethyl-2-(thian-3-yl)-1,3-oxazolidine;hydrochloride
CID 117227829
2,4-dimethyl-2-(oxan-4-yl)-1,3-oxazolidine;hydrochloride
CID 117227645
2,4,4-trimethyl-2-(thiolan-3-yl)-1,3-oxazolidine;hydrochloride
CID 117227607
2,4-dimethyl-2-(oxolan-3-yl)-1,3-oxazolidine
CID 117227590
2,4-dimethyl-2-(1-methylpyrrolidin-3-yl)-1,3-oxazolidine;hydrochloride
CID 117227619
2,4-dimethyl-2-(oxan-2-yl)-1,3-oxazolidine
CID 117227926
2,4-dimethyl-2-propan-2-yl-1,3-oxazolidine;hydrochloride
CID 117228417
4-methyl-2-(thiolan-3-yl)-1,3-oxazolidine;hydrochloride
CID 117227601
2,5,5-trimethyl-2-(thian-4-yl)-1,3-oxazinane;hydrochloride
CID 117226220
4,4-dimethyl-2-(thiolan-3-yl)-1,3-oxazolidine;hydrochloride
CID 117227603
2,4-dimethyl-2-(thian-2-ylmethyl)-1,3-oxazolidine
CID 117228054
2,4-dimethyl-2-(pyrrolidin-3-ylmethyl)-1,3-oxazolidine;hydrochloride
CID 117227729

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-2-(thiolan-3-yl)-1,3-oxazolidine;hydrochloride?
The IUPAC name of 2,4-dimethyl-2-(thiolan-3-yl)-1,3-oxazolidine;hydrochloride (CID 117227605) is 2,4-dimethyl-2-(thiolan-3-yl)-1,3-oxazolidine;hydrochloride.
What is the SMILES notation for 2,4-dimethyl-2-(thiolan-3-yl)-1,3-oxazolidine;hydrochloride?
The canonical SMILES for 2,4-dimethyl-2-(thiolan-3-yl)-1,3-oxazolidine;hydrochloride is CC1COC(C)(C2CCSC2)N1.Cl.
What is the InChIKey of 2,4-dimethyl-2-(thiolan-3-yl)-1,3-oxazolidine;hydrochloride?
The InChIKey is ZMTLOHWFKZRUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NOS.ClH/c1-7-5-11-9(2,10-7)8-3-4-12-6-8;/h7-8,10H,3-6H2,1-2H3;1H.
What are the key properties of 2,4-dimethyl-2-(thiolan-3-yl)-1,3-oxazolidine;hydrochloride?
2,4-dimethyl-2-(thiolan-3-yl)-1,3-oxazolidine;hydrochloride has a molecular weight of 223.77 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2-(thiolan-3-yl)-1,3-oxazolidine;hydrochloride is sourced from PubChem (CID 117227605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).