3-(methylsulfanylmethyl)pyrrolidine

C6H13NS — CID 23184259

IUPAC3-(methylsulfanylmethyl)pyrrolidine
SMILESCSCC1CCNC1
InChIInChI=1S/C6H13NS/c1-8-5-6-2-3-7-4-6/h6-7H,2-5H2,1H3
InChIKeyDLRXQZPIZMUQQC-UHFFFAOYSA-N
MW131.24 g/mol
LogP0.96
Rot. Bonds2

About 3-(methylsulfanylmethyl)pyrrolidine

3-(methylsulfanylmethyl)pyrrolidine (PubChem CID 23184259) has the molecular formula C6H13NS and a molecular weight of 131.24 g/mol. Its IUPAC name is 3-(methylsulfanylmethyl)pyrrolidine.

Molecular Properties

Compound Name3-(methylsulfanylmethyl)pyrrolidine
PubChem CID23184259
Molecular FormulaC6H13NS
Molecular Weight131.24 g/mol
Exact Mass131.08
IUPAC Name3-(methylsulfanylmethyl)pyrrolidine
SMILESCSCC1CCNC1
InChIInChI=1S/C6H13NS/c1-8-5-6-2-3-7-4-6/h6-7H,2-5H2,1H3
InChIKeyDLRXQZPIZMUQQC-UHFFFAOYSA-N
XLogP0.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.24
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(methylsulfanylmethyl)pyrrolidine?
The IUPAC name of 3-(methylsulfanylmethyl)pyrrolidine (CID 23184259) is 3-(methylsulfanylmethyl)pyrrolidine.
What is the SMILES notation for 3-(methylsulfanylmethyl)pyrrolidine?
The canonical SMILES for 3-(methylsulfanylmethyl)pyrrolidine is CSCC1CCNC1.
What is the InChIKey of 3-(methylsulfanylmethyl)pyrrolidine?
The InChIKey is DLRXQZPIZMUQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NS/c1-8-5-6-2-3-7-4-6/h6-7H,2-5H2,1H3.
What are the key properties of 3-(methylsulfanylmethyl)pyrrolidine?
3-(methylsulfanylmethyl)pyrrolidine has a molecular weight of 131.24 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylsulfanylmethyl)pyrrolidine is sourced from PubChem (CID 23184259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).