3-(oxan-4-ylsulfanylmethyl)pyrrolidine

C10H19NOS — CID 62990333

IUPAC3-(oxan-4-ylsulfanylmethyl)pyrrolidine
SMILESC1CC(CSC2CCOCC2)CN1
InChIInChI=1S/C10H19NOS/c1-4-11-7-9(1)8-13-10-2-5-12-6-3-10/h9-11H,1-8H2
InChIKeyNQOPDCVHYMYIJZ-UHFFFAOYSA-N
MW201.33 g/mol
LogP1.51
Rot. Bonds3

About 3-(oxan-4-ylsulfanylmethyl)pyrrolidine

3-(oxan-4-ylsulfanylmethyl)pyrrolidine (PubChem CID 62990333) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is 3-(oxan-4-ylsulfanylmethyl)pyrrolidine.

Molecular Properties

Compound Name3-(oxan-4-ylsulfanylmethyl)pyrrolidine
PubChem CID62990333
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC Name3-(oxan-4-ylsulfanylmethyl)pyrrolidine
SMILESC1CC(CSC2CCOCC2)CN1
InChIInChI=1S/C10H19NOS/c1-4-11-7-9(1)8-13-10-2-5-12-6-3-10/h9-11H,1-8H2
InChIKeyNQOPDCVHYMYIJZ-UHFFFAOYSA-N
XLogP1.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 3-(oxan-4-ylsulfanylmethyl)pyrrolidine?
The IUPAC name of 3-(oxan-4-ylsulfanylmethyl)pyrrolidine (CID 62990333) is 3-(oxan-4-ylsulfanylmethyl)pyrrolidine.
What is the SMILES notation for 3-(oxan-4-ylsulfanylmethyl)pyrrolidine?
The canonical SMILES for 3-(oxan-4-ylsulfanylmethyl)pyrrolidine is C1CC(CSC2CCOCC2)CN1.
What is the InChIKey of 3-(oxan-4-ylsulfanylmethyl)pyrrolidine?
The InChIKey is NQOPDCVHYMYIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS/c1-4-11-7-9(1)8-13-10-2-5-12-6-3-10/h9-11H,1-8H2.
What are the key properties of 3-(oxan-4-ylsulfanylmethyl)pyrrolidine?
3-(oxan-4-ylsulfanylmethyl)pyrrolidine has a molecular weight of 201.33 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-4-ylsulfanylmethyl)pyrrolidine is sourced from PubChem (CID 62990333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).