(2S)-3,4-diethyl-2-methylsulfanylpyrrolidine

C9H19NS — CID 135270621

IUPAC(2S)-3,4-diethyl-2-methylsulfanylpyrrolidine
SMILESCCC1CN[C@@H](SC)C1CC
InChIInChI=1S/C9H19NS/c1-4-7-6-10-9(11-3)8(7)5-2/h7-10H,4-6H2,1-3H3/t7?,8?,9-/m0/s1
InChIKeyGPNJQTQCQOOMRY-HACHORDNSA-N
MW173.32 g/mol
LogP2.33
Rot. Bonds3

About (2S)-3,4-diethyl-2-methylsulfanylpyrrolidine

(2S)-3,4-diethyl-2-methylsulfanylpyrrolidine (PubChem CID 135270621) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is (2S)-3,4-diethyl-2-methylsulfanylpyrrolidine.

Molecular Properties

Compound Name(2S)-3,4-diethyl-2-methylsulfanylpyrrolidine
PubChem CID135270621
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name(2S)-3,4-diethyl-2-methylsulfanylpyrrolidine
SMILESCCC1CN[C@@H](SC)C1CC
InChIInChI=1S/C9H19NS/c1-4-7-6-10-9(11-3)8(7)5-2/h7-10H,4-6H2,1-3H3/t7?,8?,9-/m0/s1
InChIKeyGPNJQTQCQOOMRY-HACHORDNSA-N
XLogP2.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-3,4-diethyl-2-methylsulfanylpyrrolidine?
The IUPAC name of (2S)-3,4-diethyl-2-methylsulfanylpyrrolidine (CID 135270621) is (2S)-3,4-diethyl-2-methylsulfanylpyrrolidine.
What is the SMILES notation for (2S)-3,4-diethyl-2-methylsulfanylpyrrolidine?
The canonical SMILES for (2S)-3,4-diethyl-2-methylsulfanylpyrrolidine is CCC1CN[C@@H](SC)C1CC.
What is the InChIKey of (2S)-3,4-diethyl-2-methylsulfanylpyrrolidine?
The InChIKey is GPNJQTQCQOOMRY-HACHORDNSA-N. The full InChI is InChI=1S/C9H19NS/c1-4-7-6-10-9(11-3)8(7)5-2/h7-10H,4-6H2,1-3H3/t7?,8?,9-/m0/s1.
What are the key properties of (2S)-3,4-diethyl-2-methylsulfanylpyrrolidine?
(2S)-3,4-diethyl-2-methylsulfanylpyrrolidine has a molecular weight of 173.32 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3,4-diethyl-2-methylsulfanylpyrrolidine is sourced from PubChem (CID 135270621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).