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

C9H18ClNOS — CID 117227603

IUPAC4,4-dimethyl-2-(thiolan-3-yl)-1,3-oxazolidine;hydrochloride
SMILESCC1(C)COC(C2CCSC2)N1.Cl
InChIInChI=1S/C9H17NOS.ClH/c1-9(2)6-11-8(10-9)7-3-4-12-5-7;/h7-8,10H,3-6H2,1-2H3;1H
InChIKeyMAJMWGJWSATAOE-UHFFFAOYSA-N
MW223.77 g/mol
LogP1.89
Rot. Bonds1

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

4,4-dimethyl-2-(thiolan-3-yl)-1,3-oxazolidine;hydrochloride (PubChem CID 117227603) has the molecular formula C9H18ClNOS and a molecular weight of 223.77 g/mol. Its IUPAC name is 4,4-dimethyl-2-(thiolan-3-yl)-1,3-oxazolidine;hydrochloride.

Molecular Properties

Compound Name4,4-dimethyl-2-(thiolan-3-yl)-1,3-oxazolidine;hydrochloride
PubChem CID117227603
Molecular FormulaC9H18ClNOS
Molecular Weight223.77 g/mol
Exact Mass223.08
IUPAC Name4,4-dimethyl-2-(thiolan-3-yl)-1,3-oxazolidine;hydrochloride
SMILESCC1(C)COC(C2CCSC2)N1.Cl
InChIInChI=1S/C9H17NOS.ClH/c1-9(2)6-11-8(10-9)7-3-4-12-5-7;/h7-8,10H,3-6H2,1-2H3;1H
InChIKeyMAJMWGJWSATAOE-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

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Related Compounds

2-cyclobutyl-4,4-dimethyl-1,3-oxazolidine
CID 117228568
(4aS,8aR)-3,3,7,7-tetramethyl-2,4,4a,6,8,8a-hexahydro-[1,4]oxazino[3,2-b][1,4]oxazine
CID 139225414
(2R)-2-[(2S)-4,4-dimethyl-1,3-oxazolidin-2-yl]-4,4-dimethyl-1,3-oxazolidine
CID 139225415
4,4-dimethyl-2-(thiolan-3-ylmethyl)-1,3-oxazolidine;hydrochloride
CID 117227715
4-methyl-2-(thiolan-3-yl)-1,3-oxazolidine;hydrochloride
CID 117227601
4,4-dimethyl-2-(thian-2-yl)-1,3-oxazolidine
CID 117227940
4,4-dimethyl-2-(1-propan-2-ylpiperidin-3-yl)-1,3-oxazolidine;hydrochloride
CID 117227855
5,5-dimethyl-2-(thian-3-yl)-1,3-oxazolidine
CID 117228790
4,4-dimethyl-2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-oxazolidine;hydrochloride
CID 117227911
2,4,4-trimethyl-2-(thiolan-3-yl)-1,3-oxazolidine;hydrochloride
CID 117227607
2,4-dimethyl-2-(thiolan-3-yl)-1,3-oxazolidine;hydrochloride
CID 117227605
2-(4,4-dimethyl-1,3-oxazolidin-2-yl)thiolane 1,1-dioxide
CID 117227876

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-(thiolan-3-yl)-1,3-oxazolidine;hydrochloride?
The IUPAC name of 4,4-dimethyl-2-(thiolan-3-yl)-1,3-oxazolidine;hydrochloride (CID 117227603) is 4,4-dimethyl-2-(thiolan-3-yl)-1,3-oxazolidine;hydrochloride.
What is the SMILES notation for 4,4-dimethyl-2-(thiolan-3-yl)-1,3-oxazolidine;hydrochloride?
The canonical SMILES for 4,4-dimethyl-2-(thiolan-3-yl)-1,3-oxazolidine;hydrochloride is CC1(C)COC(C2CCSC2)N1.Cl.
What is the InChIKey of 4,4-dimethyl-2-(thiolan-3-yl)-1,3-oxazolidine;hydrochloride?
The InChIKey is MAJMWGJWSATAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NOS.ClH/c1-9(2)6-11-8(10-9)7-3-4-12-5-7;/h7-8,10H,3-6H2,1-2H3;1H.
What are the key properties of 4,4-dimethyl-2-(thiolan-3-yl)-1,3-oxazolidine;hydrochloride?
4,4-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 4,4-dimethyl-2-(thiolan-3-yl)-1,3-oxazolidine;hydrochloride is sourced from PubChem (CID 117227603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).