3-[(2S)-1-methylpyrrolidin-2-yl]-4-methylsulfanylpyridine

C11H16N2S — CID 11991400

IUPAC3-[(2S)-1-methylpyrrolidin-2-yl]-4-methylsulfanylpyridine
SMILESCSc1ccncc1[C@@H]1CCCN1C
InChIInChI=1S/C11H16N2S/c1-13-7-3-4-10(13)9-8-12-6-5-11(9)14-2/h5-6,8,10H,3-4,7H2,1-2H3/t10-/m0/s1
InChIKeyYEKBRLRRDIMYAH-JTQLQIEISA-N
MW208.33 g/mol
LogP2.57
Rot. Bonds2

About 3-[(2S)-1-methylpyrrolidin-2-yl]-4-methylsulfanylpyridine

3-[(2S)-1-methylpyrrolidin-2-yl]-4-methylsulfanylpyridine (PubChem CID 11991400) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 3-[(2S)-1-methylpyrrolidin-2-yl]-4-methylsulfanylpyridine.

Molecular Properties

Compound Name3-[(2S)-1-methylpyrrolidin-2-yl]-4-methylsulfanylpyridine
PubChem CID11991400
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name3-[(2S)-1-methylpyrrolidin-2-yl]-4-methylsulfanylpyridine
SMILESCSc1ccncc1[C@@H]1CCCN1C
InChIInChI=1S/C11H16N2S/c1-13-7-3-4-10(13)9-8-12-6-5-11(9)14-2/h5-6,8,10H,3-4,7H2,1-2H3/t10-/m0/s1
InChIKeyYEKBRLRRDIMYAH-JTQLQIEISA-N
XLogP2.57
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-1-methylpyrrolidin-2-yl]-4-methylsulfanylpyridine?
The IUPAC name of 3-[(2S)-1-methylpyrrolidin-2-yl]-4-methylsulfanylpyridine (CID 11991400) is 3-[(2S)-1-methylpyrrolidin-2-yl]-4-methylsulfanylpyridine.
What is the SMILES notation for 3-[(2S)-1-methylpyrrolidin-2-yl]-4-methylsulfanylpyridine?
The canonical SMILES for 3-[(2S)-1-methylpyrrolidin-2-yl]-4-methylsulfanylpyridine is CSc1ccncc1[C@@H]1CCCN1C.
What is the InChIKey of 3-[(2S)-1-methylpyrrolidin-2-yl]-4-methylsulfanylpyridine?
The InChIKey is YEKBRLRRDIMYAH-JTQLQIEISA-N. The full InChI is InChI=1S/C11H16N2S/c1-13-7-3-4-10(13)9-8-12-6-5-11(9)14-2/h5-6,8,10H,3-4,7H2,1-2H3/t10-/m0/s1.
What are the key properties of 3-[(2S)-1-methylpyrrolidin-2-yl]-4-methylsulfanylpyridine?
3-[(2S)-1-methylpyrrolidin-2-yl]-4-methylsulfanylpyridine has a molecular weight of 208.33 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-1-methylpyrrolidin-2-yl]-4-methylsulfanylpyridine is sourced from PubChem (CID 11991400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).