2-(oxolan-2-yl)-2-(thiolan-2-yl)pyrrolidine

C12H21NOS — CID 91145932

IUPAC2-(oxolan-2-yl)-2-(thiolan-2-yl)pyrrolidine
SMILESC1COC(C2(C3CCCS3)CCCN2)C1
InChIInChI=1S/C12H21NOS/c1-4-10(14-8-1)12(6-3-7-13-12)11-5-2-9-15-11/h10-11,13H,1-9H2
InChIKeyHISIWCLAJINMNM-UHFFFAOYSA-N
MW227.37 g/mol
LogP2.18
Rot. Bonds2

About 2-(oxolan-2-yl)-2-(thiolan-2-yl)pyrrolidine

2-(oxolan-2-yl)-2-(thiolan-2-yl)pyrrolidine (PubChem CID 91145932) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is 2-(oxolan-2-yl)-2-(thiolan-2-yl)pyrrolidine.

Molecular Properties

Compound Name2-(oxolan-2-yl)-2-(thiolan-2-yl)pyrrolidine
PubChem CID91145932
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC Name2-(oxolan-2-yl)-2-(thiolan-2-yl)pyrrolidine
SMILESC1COC(C2(C3CCCS3)CCCN2)C1
InChIInChI=1S/C12H21NOS/c1-4-10(14-8-1)12(6-3-7-13-12)11-5-2-9-15-11/h10-11,13H,1-9H2
InChIKeyHISIWCLAJINMNM-UHFFFAOYSA-N
XLogP2.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-(thiolan-2-yl)pyrrolidine
CID 105434982
2-ethyl-2-(thiolan-2-yl)pyrrolidine
CID 117270993
[2-(oxolan-2-yl)piperidin-2-yl]methanol
CID 115103585
2-methyl-2-(oxan-2-yl)pyrrolidine
CID 105434283
2-(oxan-2-yl)-1-(thian-2-yl)-2-(thiolan-2-yl)piperidine
CID 141045090
2,2-dicyclopropylpyrrolidine
CID 66466042
2-ethyl-2-(oxolan-2-yl)piperidine
CID 117271216
methyl 2-(oxolan-2-yl)piperidine-2-carboxylate
CID 115103593
2-methyl-2-(thian-2-yl)piperidine
CID 117271242
2-methyl-2-(thian-2-yl)-1,3-oxazolidine
CID 117227319
methyl 2-(thian-2-yl)pyrrolidine-2-carboxylate
CID 115103266
2-(methoxymethyl)-2-(thiolan-2-yl)piperidine
CID 117271997

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-yl)-2-(thiolan-2-yl)pyrrolidine?
The IUPAC name of 2-(oxolan-2-yl)-2-(thiolan-2-yl)pyrrolidine (CID 91145932) is 2-(oxolan-2-yl)-2-(thiolan-2-yl)pyrrolidine.
What is the SMILES notation for 2-(oxolan-2-yl)-2-(thiolan-2-yl)pyrrolidine?
The canonical SMILES for 2-(oxolan-2-yl)-2-(thiolan-2-yl)pyrrolidine is C1COC(C2(C3CCCS3)CCCN2)C1.
What is the InChIKey of 2-(oxolan-2-yl)-2-(thiolan-2-yl)pyrrolidine?
The InChIKey is HISIWCLAJINMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS/c1-4-10(14-8-1)12(6-3-7-13-12)11-5-2-9-15-11/h10-11,13H,1-9H2.
What are the key properties of 2-(oxolan-2-yl)-2-(thiolan-2-yl)pyrrolidine?
2-(oxolan-2-yl)-2-(thiolan-2-yl)pyrrolidine has a molecular weight of 227.37 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-yl)-2-(thiolan-2-yl)pyrrolidine is sourced from PubChem (CID 91145932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).