2-methyl-2-(thian-2-ylmethyl)-1,3-oxazolidine;hydrochloride

C10H20ClNOS — CID 117227468

IUPAC2-methyl-2-(thian-2-ylmethyl)-1,3-oxazolidine;hydrochloride
SMILESCC1(CC2CCCCS2)NCCO1.Cl
InChIInChI=1S/C10H19NOS.ClH/c1-10(11-5-6-12-10)8-9-4-2-3-7-13-9;/h9,11H,2-8H2,1H3;1H
InChIKeyFYLVTVIBDSASDZ-UHFFFAOYSA-N
MW237.80 g/mol
LogP2.42
Rot. Bonds2

About 2-methyl-2-(thian-2-ylmethyl)-1,3-oxazolidine;hydrochloride

2-methyl-2-(thian-2-ylmethyl)-1,3-oxazolidine;hydrochloride (PubChem CID 117227468) has the molecular formula C10H20ClNOS and a molecular weight of 237.80 g/mol. Its IUPAC name is 2-methyl-2-(thian-2-ylmethyl)-1,3-oxazolidine;hydrochloride.

Molecular Properties

Compound Name2-methyl-2-(thian-2-ylmethyl)-1,3-oxazolidine;hydrochloride
PubChem CID117227468
Molecular FormulaC10H20ClNOS
Molecular Weight237.80 g/mol
Exact Mass237.10
IUPAC Name2-methyl-2-(thian-2-ylmethyl)-1,3-oxazolidine;hydrochloride
SMILESCC1(CC2CCCCS2)NCCO1.Cl
InChIInChI=1S/C10H19NOS.ClH/c1-10(11-5-6-12-10)8-9-4-2-3-7-13-9;/h9,11H,2-8H2,1H3;1H
InChIKeyFYLVTVIBDSASDZ-UHFFFAOYSA-N
XLogP2.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.80
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(thian-2-ylmethyl)-1,3-oxazolidine;hydrochloride?
The IUPAC name of 2-methyl-2-(thian-2-ylmethyl)-1,3-oxazolidine;hydrochloride (CID 117227468) is 2-methyl-2-(thian-2-ylmethyl)-1,3-oxazolidine;hydrochloride.
What is the SMILES notation for 2-methyl-2-(thian-2-ylmethyl)-1,3-oxazolidine;hydrochloride?
The canonical SMILES for 2-methyl-2-(thian-2-ylmethyl)-1,3-oxazolidine;hydrochloride is CC1(CC2CCCCS2)NCCO1.Cl.
What is the InChIKey of 2-methyl-2-(thian-2-ylmethyl)-1,3-oxazolidine;hydrochloride?
The InChIKey is FYLVTVIBDSASDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS.ClH/c1-10(11-5-6-12-10)8-9-4-2-3-7-13-9;/h9,11H,2-8H2,1H3;1H.
What are the key properties of 2-methyl-2-(thian-2-ylmethyl)-1,3-oxazolidine;hydrochloride?
2-methyl-2-(thian-2-ylmethyl)-1,3-oxazolidine;hydrochloride has a molecular weight of 237.80 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(thian-2-ylmethyl)-1,3-oxazolidine;hydrochloride is sourced from PubChem (CID 117227468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).