(2S)-2-(methylsulfanylmethyl)pyrrolidine

C6H13NS — CID 7022767

IUPAC(2S)-2-(methylsulfanylmethyl)pyrrolidine
SMILESCSC[C@@H]1CCCN1
InChIInChI=1S/C6H13NS/c1-8-5-6-3-2-4-7-6/h6-7H,2-5H2,1H3/t6-/m0/s1
InChIKeyUAFBQROGXTXREC-LURJTMIESA-N
MW131.24 g/mol
LogP1.10
Rot. Bonds2

About (2S)-2-(methylsulfanylmethyl)pyrrolidine

(2S)-2-(methylsulfanylmethyl)pyrrolidine (PubChem CID 7022767) has the molecular formula C6H13NS and a molecular weight of 131.24 g/mol. Its IUPAC name is (2S)-2-(methylsulfanylmethyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-2-(methylsulfanylmethyl)pyrrolidine
PubChem CID7022767
Molecular FormulaC6H13NS
Molecular Weight131.24 g/mol
Exact Mass131.08
IUPAC Name(2S)-2-(methylsulfanylmethyl)pyrrolidine
SMILESCSC[C@@H]1CCCN1
InChIInChI=1S/C6H13NS/c1-8-5-6-3-2-4-7-6/h6-7H,2-5H2,1H3/t6-/m0/s1
InChIKeyUAFBQROGXTXREC-LURJTMIESA-N
XLogP1.10
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 ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methylsulfanylmethyl)pyrrolidine?
The IUPAC name of (2S)-2-(methylsulfanylmethyl)pyrrolidine (CID 7022767) is (2S)-2-(methylsulfanylmethyl)pyrrolidine.
What is the SMILES notation for (2S)-2-(methylsulfanylmethyl)pyrrolidine?
The canonical SMILES for (2S)-2-(methylsulfanylmethyl)pyrrolidine is CSC[C@@H]1CCCN1.
What is the InChIKey of (2S)-2-(methylsulfanylmethyl)pyrrolidine?
The InChIKey is UAFBQROGXTXREC-LURJTMIESA-N. The full InChI is InChI=1S/C6H13NS/c1-8-5-6-3-2-4-7-6/h6-7H,2-5H2,1H3/t6-/m0/s1.
What are the key properties of (2S)-2-(methylsulfanylmethyl)pyrrolidine?
(2S)-2-(methylsulfanylmethyl)pyrrolidine has a molecular weight of 131.24 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methylsulfanylmethyl)pyrrolidine is sourced from PubChem (CID 7022767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).