3-(oxolan-2-ylmethylsulfanylmethyl)pyrrolidine

C10H19NOS — CID 106495448

IUPAC3-(oxolan-2-ylmethylsulfanylmethyl)pyrrolidine
SMILESC1COC(CSCC2CCNC2)C1
InChIInChI=1S/C10H19NOS/c1-2-10(12-5-1)8-13-7-9-3-4-11-6-9/h9-11H,1-8H2
InChIKeyYFXKCLIYAQQDIQ-UHFFFAOYSA-N
MW201.33 g/mol
LogP1.51
Rot. Bonds4

About 3-(oxolan-2-ylmethylsulfanylmethyl)pyrrolidine

3-(oxolan-2-ylmethylsulfanylmethyl)pyrrolidine (PubChem CID 106495448) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is 3-(oxolan-2-ylmethylsulfanylmethyl)pyrrolidine.

Molecular Properties

Compound Name3-(oxolan-2-ylmethylsulfanylmethyl)pyrrolidine
PubChem CID106495448
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC Name3-(oxolan-2-ylmethylsulfanylmethyl)pyrrolidine
SMILESC1COC(CSCC2CCNC2)C1
InChIInChI=1S/C10H19NOS/c1-2-10(12-5-1)8-13-7-9-3-4-11-6-9/h9-11H,1-8H2
InChIKeyYFXKCLIYAQQDIQ-UHFFFAOYSA-N
XLogP1.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[(2R)-oxolan-2-yl]methylsulfanylmethyl]oxolane
CID 129402242
3-[2-(oxolan-2-yl)ethyl]pyrrolidine
CID 104680566
3-(oxan-2-ylmethyl)pyrrolidine
CID 104680485
3-(oxolan-2-ylmethoxymethyl)pyrrolidine
CID 62372457
3-[2-(oxan-2-yl)ethyl]pyrrolidine;hydrochloride
CID 126844630
2-(oxolan-2-ylmethylsulfanylmethyl)piperidine
CID 106495458
N-(oxan-2-ylmethyl)-1-pyrrolidin-3-ylmethanamine
CID 63006474
2-(oxan-2-ylmethylsulfanyl)-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119453049
4-(oxolan-2-ylmethyl)azepane
CID 126845756
N-(pyrrolidin-3-ylmethyl)oxolan-2-amine
CID 105434589
(3S)-3-[[(2R)-oxolan-2-yl]methoxy]pyrrolidine
CID 26191909
3-(cyclopropylsulfanylmethyl)pyrrolidine
CID 84650659

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-ylmethylsulfanylmethyl)pyrrolidine?
The IUPAC name of 3-(oxolan-2-ylmethylsulfanylmethyl)pyrrolidine (CID 106495448) is 3-(oxolan-2-ylmethylsulfanylmethyl)pyrrolidine.
What is the SMILES notation for 3-(oxolan-2-ylmethylsulfanylmethyl)pyrrolidine?
The canonical SMILES for 3-(oxolan-2-ylmethylsulfanylmethyl)pyrrolidine is C1COC(CSCC2CCNC2)C1.
What is the InChIKey of 3-(oxolan-2-ylmethylsulfanylmethyl)pyrrolidine?
The InChIKey is YFXKCLIYAQQDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS/c1-2-10(12-5-1)8-13-7-9-3-4-11-6-9/h9-11H,1-8H2.
What are the key properties of 3-(oxolan-2-ylmethylsulfanylmethyl)pyrrolidine?
3-(oxolan-2-ylmethylsulfanylmethyl)pyrrolidine has a molecular weight of 201.33 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-ylmethylsulfanylmethyl)pyrrolidine is sourced from PubChem (CID 106495448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).