2-(thiolan-2-yl)-1,3-oxazolidine

C7H13NOS — CID 117225672

IUPAC2-(thiolan-2-yl)-1,3-oxazolidine
SMILESC1CSC(C2NCCO2)C1
InChIInChI=1S/C7H13NOS/c1-2-6(10-5-1)7-8-3-4-9-7/h6-8H,1-5H2
InChIKeyVRTJFNLHLHCTNV-UHFFFAOYSA-N
MW159.25 g/mol
LogP0.83
Rot. Bonds1

About 2-(thiolan-2-yl)-1,3-oxazolidine

2-(thiolan-2-yl)-1,3-oxazolidine (PubChem CID 117225672) has the molecular formula C7H13NOS and a molecular weight of 159.25 g/mol. Its IUPAC name is 2-(thiolan-2-yl)-1,3-oxazolidine.

Molecular Properties

Compound Name2-(thiolan-2-yl)-1,3-oxazolidine
PubChem CID117225672
Molecular FormulaC7H13NOS
Molecular Weight159.25 g/mol
Exact Mass159.07
IUPAC Name2-(thiolan-2-yl)-1,3-oxazolidine
SMILESC1CSC(C2NCCO2)C1
InChIInChI=1S/C7H13NOS/c1-2-6(10-5-1)7-8-3-4-9-7/h6-8H,1-5H2
InChIKeyVRTJFNLHLHCTNV-UHFFFAOYSA-N
XLogP0.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,5-dimethyl-2-(thiolan-2-yl)-1,3-oxazinane;hydrochloride
CID 117226442
2-cyclohexyl-1,3-oxazolidine
CID 117225833
2-(azepan-2-yl)-1,3-oxazolidine
CID 174654499
1,2,3,3a,5,6,7,7a-octahydrothiopyrano[3,2-b]pyrrole
CID 82417838
2-(oxan-4-yl)-1,3-oxazolidine;hydrochloride
CID 117225611
4,4-dimethyl-2-(thian-2-yl)-1,3-oxazolidine
CID 117227940
2-[2-(thiolan-2-yl)cyclohexyl]thiolane
CID 173028007
2-(oxolan-3-yl)-1,3-oxazolidine;hydrochloride
CID 117225597
3,3a,5,6,7,7a-hexahydro-2H-thieno[3,2-b]pyran
CID 118210349
(4aS,7aS)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]thiazine
CID 95358103
2-(5H-tetrazol-5-yl)-1,3-oxazolidine
CID 175563681
2-cycloheptylthiolane
CID 173272603

Frequently Asked Questions

What is the IUPAC name of 2-(thiolan-2-yl)-1,3-oxazolidine?
The IUPAC name of 2-(thiolan-2-yl)-1,3-oxazolidine (CID 117225672) is 2-(thiolan-2-yl)-1,3-oxazolidine.
What is the SMILES notation for 2-(thiolan-2-yl)-1,3-oxazolidine?
The canonical SMILES for 2-(thiolan-2-yl)-1,3-oxazolidine is C1CSC(C2NCCO2)C1.
What is the InChIKey of 2-(thiolan-2-yl)-1,3-oxazolidine?
The InChIKey is VRTJFNLHLHCTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NOS/c1-2-6(10-5-1)7-8-3-4-9-7/h6-8H,1-5H2.
What are the key properties of 2-(thiolan-2-yl)-1,3-oxazolidine?
2-(thiolan-2-yl)-1,3-oxazolidine has a molecular weight of 159.25 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiolan-2-yl)-1,3-oxazolidine is sourced from PubChem (CID 117225672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).