2-methyl-2-(thiolan-3-ylmethyl)-1,3-oxazolidine

C9H17NOS — CID 117227291

IUPAC2-methyl-2-(thiolan-3-ylmethyl)-1,3-oxazolidine
SMILESCC1(CC2CCSC2)NCCO1
InChIInChI=1S/C9H17NOS/c1-9(10-3-4-11-9)6-8-2-5-12-7-8/h8,10H,2-7H2,1H3
InChIKeySTIJCTMAOYBBKD-UHFFFAOYSA-N
MW187.31 g/mol
LogP1.47
Rot. Bonds2

About 2-methyl-2-(thiolan-3-ylmethyl)-1,3-oxazolidine

2-methyl-2-(thiolan-3-ylmethyl)-1,3-oxazolidine (PubChem CID 117227291) has the molecular formula C9H17NOS and a molecular weight of 187.31 g/mol. Its IUPAC name is 2-methyl-2-(thiolan-3-ylmethyl)-1,3-oxazolidine.

Molecular Properties

Compound Name2-methyl-2-(thiolan-3-ylmethyl)-1,3-oxazolidine
PubChem CID117227291
Molecular FormulaC9H17NOS
Molecular Weight187.31 g/mol
Exact Mass187.10
IUPAC Name2-methyl-2-(thiolan-3-ylmethyl)-1,3-oxazolidine
SMILESCC1(CC2CCSC2)NCCO1
InChIInChI=1S/C9H17NOS/c1-9(10-3-4-11-9)6-8-2-5-12-7-8/h8,10H,2-7H2,1H3
InChIKeySTIJCTMAOYBBKD-UHFFFAOYSA-N
XLogP1.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 51.47
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-methyl-2-(thiolan-3-ylmethyl)pyrrolidine
CID 117270942
2-methyl-2-(thian-2-ylmethyl)-1,3-oxazolidine;hydrochloride
CID 117227468
2,5-dimethyl-2-(thian-3-ylmethyl)-1,3-oxazolidine
CID 117228931
2-methyl-2-(thian-4-ylmethyl)pyrrolidine
CID 117270960
2-methyl-N-(thiolan-3-ylmethyl)piperidine-2-carboxamide
CID 107295961
4,4-dimethyl-2-(thiolan-3-ylmethyl)-1,3-oxazolidine;hydrochloride
CID 117227715
2-methyl-2-(thian-2-yl)-1,3-oxazolidine
CID 117227319
3-(2,2-dimethylpropyl)thiolane
CID 58797584
1-(thiolan-3-yl)propan-2-one
CID 82651393
3-(2-methylprop-2-enyl)thiolane
CID 89152874
2-(thiolan-3-ylmethyl)-1,3-oxazinane
CID 117225889

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(thiolan-3-ylmethyl)-1,3-oxazolidine?
The IUPAC name of 2-methyl-2-(thiolan-3-ylmethyl)-1,3-oxazolidine (CID 117227291) is 2-methyl-2-(thiolan-3-ylmethyl)-1,3-oxazolidine.
What is the SMILES notation for 2-methyl-2-(thiolan-3-ylmethyl)-1,3-oxazolidine?
The canonical SMILES for 2-methyl-2-(thiolan-3-ylmethyl)-1,3-oxazolidine is CC1(CC2CCSC2)NCCO1.
What is the InChIKey of 2-methyl-2-(thiolan-3-ylmethyl)-1,3-oxazolidine?
The InChIKey is STIJCTMAOYBBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NOS/c1-9(10-3-4-11-9)6-8-2-5-12-7-8/h8,10H,2-7H2,1H3.
What are the key properties of 2-methyl-2-(thiolan-3-ylmethyl)-1,3-oxazolidine?
2-methyl-2-(thiolan-3-ylmethyl)-1,3-oxazolidine has a molecular weight of 187.31 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(thiolan-3-ylmethyl)-1,3-oxazolidine is sourced from PubChem (CID 117227291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).