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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Related Compounds

2-methyl-2-(thian-2-ylmethyl)-1,3-oxazolidine
CID 117227333
2,4,4-trimethyl-2-(thian-2-ylmethyl)-1,3-oxazolidine;hydrochloride
CID 117228055
2,4-dimethyl-2-(thian-2-ylmethyl)-1,3-oxazolidine
CID 117228054
2-methyl-2-(thiolan-3-ylmethyl)-1,3-oxazolidine
CID 117227291
2-methyl-2-(thian-2-yl)-1,3-oxazolidine
CID 117227319
2-propan-2-yl-2-(thian-2-ylmethyl)pyrrolidine
CID 117271050
2-(methoxymethyl)-2-(thian-2-ylmethyl)pyrrolidine
CID 117271873
2-(thian-2-ylmethyl)piperidine-2-carboxylic acid
CID 115103659
1-(thian-2-ylmethyl)cyclohexan-1-ol
CID 115073797
2-[2-methyl-2-(thian-2-ylmethyl)-1,3-dioxolan-4-yl]acetic acid
CID 117169160
2,5-dimethyl-2-(pyrrolidin-2-ylmethyl)-1,3-oxazinane
CID 117226563
5,5-dimethyl-2-(thian-2-ylmethyl)-1,3-oxazinane
CID 117226611

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).