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

C10H20ClNOS — CID 117227829

IUPAC2,4-dimethyl-2-(thian-3-yl)-1,3-oxazolidine;hydrochloride
SMILESCC1COC(C)(C2CCCSC2)N1.Cl
InChIInChI=1S/C10H19NOS.ClH/c1-8-6-12-10(2,11-8)9-4-3-5-13-7-9;/h8-9,11H,3-7H2,1-2H3;1H
InChIKeyHEIKMKIZUFYKBN-UHFFFAOYSA-N
MW237.80 g/mol
LogP2.28
Rot. Bonds1

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

2,4-dimethyl-2-(thian-3-yl)-1,3-oxazolidine;hydrochloride (PubChem CID 117227829) has the molecular formula C10H20ClNOS and a molecular weight of 237.80 g/mol. Its IUPAC name is 2,4-dimethyl-2-(thian-3-yl)-1,3-oxazolidine;hydrochloride.

Molecular Properties

Compound Name2,4-dimethyl-2-(thian-3-yl)-1,3-oxazolidine;hydrochloride
PubChem CID117227829
Molecular FormulaC10H20ClNOS
Molecular Weight237.80 g/mol
Exact Mass237.10
IUPAC Name2,4-dimethyl-2-(thian-3-yl)-1,3-oxazolidine;hydrochloride
SMILESCC1COC(C)(C2CCCSC2)N1.Cl
InChIInChI=1S/C10H19NOS.ClH/c1-8-6-12-10(2,11-8)9-4-3-5-13-7-9;/h8-9,11H,3-7H2,1-2H3;1H
InChIKeyHEIKMKIZUFYKBN-UHFFFAOYSA-N
XLogP2.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.80
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dimethyl-2-(thiolan-3-yl)-1,3-oxazolidine;hydrochloride
CID 117227605
2,4-dimethyl-2-(oxan-4-yl)-1,3-oxazolidine;hydrochloride
CID 117227645
2,4-dimethyl-2-(oxolan-3-yl)-1,3-oxazolidine
CID 117227590
2,4-dimethyl-2-(oxan-2-yl)-1,3-oxazolidine
CID 117227926
2,4-dimethyl-2-(1-methylpyrrolidin-3-yl)-1,3-oxazolidine;hydrochloride
CID 117227619
2,4,4-trimethyl-2-(thiolan-3-yl)-1,3-oxazolidine;hydrochloride
CID 117227607
3-methyl-3-(thian-3-yl)pyrrolidine
CID 105441904
2,4-dimethyl-2-propan-2-yl-1,3-oxazolidine;hydrochloride
CID 117228417
2,4-dimethyl-2-(thian-2-ylmethyl)-1,3-oxazolidine
CID 117228054
2-[(1-ethylpiperidin-2-yl)methyl]-2,4-dimethyl-1,3-oxazolidine
CID 117228082
3,3-dimethyl-1-(thian-3-yl)cyclobutane-1-carboxylic acid
CID 115036874
2,4-dimethyl-2-(pyrrolidin-2-ylmethyl)-1,3-oxazolidine
CID 117228010

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-2-(thian-3-yl)-1,3-oxazolidine;hydrochloride?
The IUPAC name of 2,4-dimethyl-2-(thian-3-yl)-1,3-oxazolidine;hydrochloride (CID 117227829) is 2,4-dimethyl-2-(thian-3-yl)-1,3-oxazolidine;hydrochloride.
What is the SMILES notation for 2,4-dimethyl-2-(thian-3-yl)-1,3-oxazolidine;hydrochloride?
The canonical SMILES for 2,4-dimethyl-2-(thian-3-yl)-1,3-oxazolidine;hydrochloride is CC1COC(C)(C2CCCSC2)N1.Cl.
What is the InChIKey of 2,4-dimethyl-2-(thian-3-yl)-1,3-oxazolidine;hydrochloride?
The InChIKey is HEIKMKIZUFYKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS.ClH/c1-8-6-12-10(2,11-8)9-4-3-5-13-7-9;/h8-9,11H,3-7H2,1-2H3;1H.
What are the key properties of 2,4-dimethyl-2-(thian-3-yl)-1,3-oxazolidine;hydrochloride?
2,4-dimethyl-2-(thian-3-yl)-1,3-oxazolidine;hydrochloride has a molecular weight of 237.80 g/mol, XLogP of 2.28, 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-(thian-3-yl)-1,3-oxazolidine;hydrochloride is sourced from PubChem (CID 117227829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).