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

C10H20ClNOS — CID 117227607

IUPAC2,4,4-trimethyl-2-(thiolan-3-yl)-1,3-oxazolidine;hydrochloride
SMILESCC1(C)COC(C)(C2CCSC2)N1.Cl
InChIInChI=1S/C10H19NOS.ClH/c1-9(2)7-12-10(3,11-9)8-4-5-13-6-8;/h8,11H,4-7H2,1-3H3;1H
InChIKeySDEFNANSPSPLJJ-UHFFFAOYSA-N
MW237.80 g/mol
LogP2.28
Rot. Bonds1

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

2,4,4-trimethyl-2-(thiolan-3-yl)-1,3-oxazolidine;hydrochloride (PubChem CID 117227607) has the molecular formula C10H20ClNOS and a molecular weight of 237.80 g/mol. Its IUPAC name is 2,4,4-trimethyl-2-(thiolan-3-yl)-1,3-oxazolidine;hydrochloride.

Molecular Properties

Compound Name2,4,4-trimethyl-2-(thiolan-3-yl)-1,3-oxazolidine;hydrochloride
PubChem CID117227607
Molecular FormulaC10H20ClNOS
Molecular Weight237.80 g/mol
Exact Mass237.10
IUPAC Name2,4,4-trimethyl-2-(thiolan-3-yl)-1,3-oxazolidine;hydrochloride
SMILESCC1(C)COC(C)(C2CCSC2)N1.Cl
InChIInChI=1S/C10H19NOS.ClH/c1-9(2)7-12-10(3,11-9)8-4-5-13-6-8;/h8,11H,4-7H2,1-3H3;1H
InChIKeySDEFNANSPSPLJJ-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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Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-2-(thiolan-3-yl)-1,3-oxazolidine;hydrochloride?
The IUPAC name of 2,4,4-trimethyl-2-(thiolan-3-yl)-1,3-oxazolidine;hydrochloride (CID 117227607) is 2,4,4-trimethyl-2-(thiolan-3-yl)-1,3-oxazolidine;hydrochloride.
What is the SMILES notation for 2,4,4-trimethyl-2-(thiolan-3-yl)-1,3-oxazolidine;hydrochloride?
The canonical SMILES for 2,4,4-trimethyl-2-(thiolan-3-yl)-1,3-oxazolidine;hydrochloride is CC1(C)COC(C)(C2CCSC2)N1.Cl.
What is the InChIKey of 2,4,4-trimethyl-2-(thiolan-3-yl)-1,3-oxazolidine;hydrochloride?
The InChIKey is SDEFNANSPSPLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS.ClH/c1-9(2)7-12-10(3,11-9)8-4-5-13-6-8;/h8,11H,4-7H2,1-3H3;1H.
What are the key properties of 2,4,4-trimethyl-2-(thiolan-3-yl)-1,3-oxazolidine;hydrochloride?
2,4,4-trimethyl-2-(thiolan-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 2,4,4-trimethyl-2-(thiolan-3-yl)-1,3-oxazolidine;hydrochloride is sourced from PubChem (CID 117227607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).