3-(1-benzylpyrrolidin-2-yl)-2-propan-2-ylsulfanylpyridine

C19H24N2S — CID 102542292

IUPAC3-(1-benzylpyrrolidin-2-yl)-2-propan-2-ylsulfanylpyridine
SMILESCC(C)Sc1ncccc1C1CCCN1Cc1ccccc1
InChIInChI=1S/C19H24N2S/c1-15(2)22-19-17(10-6-12-20-19)18-11-7-13-21(18)14-16-8-4-3-5-9-16/h3-6,8-10,12,15,18H,7,11,13-14H2,1-2H3
InChIKeyHIGPNYLXXJDMCG-UHFFFAOYSA-N
MW312.48 g/mol
LogP4.92
Rot. Bonds5

About 3-(1-benzylpyrrolidin-2-yl)-2-propan-2-ylsulfanylpyridine

3-(1-benzylpyrrolidin-2-yl)-2-propan-2-ylsulfanylpyridine (PubChem CID 102542292) has the molecular formula C19H24N2S and a molecular weight of 312.48 g/mol. Its IUPAC name is 3-(1-benzylpyrrolidin-2-yl)-2-propan-2-ylsulfanylpyridine.

Molecular Properties

Compound Name3-(1-benzylpyrrolidin-2-yl)-2-propan-2-ylsulfanylpyridine
PubChem CID102542292
Molecular FormulaC19H24N2S
Molecular Weight312.48 g/mol
Exact Mass312.17
IUPAC Name3-(1-benzylpyrrolidin-2-yl)-2-propan-2-ylsulfanylpyridine
SMILESCC(C)Sc1ncccc1C1CCCN1Cc1ccccc1
InChIInChI=1S/C19H24N2S/c1-15(2)22-19-17(10-6-12-20-19)18-11-7-13-21(18)14-16-8-4-3-5-9-16/h3-6,8-10,12,15,18H,7,11,13-14H2,1-2H3
InChIKeyHIGPNYLXXJDMCG-UHFFFAOYSA-N
XLogP4.92
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-benzylpiperidin-2-yl)-2-ethylsulfanylpyridine
CID 102542119
3-(1-benzylpiperidin-2-yl)-2-tert-butylsulfanylpyridine
CID 102542247
3-(1-benzylpiperidin-2-yl)-2-(2,5-dimethylpyrrol-1-yl)pyridine
CID 102541932
3-(1-benzylpyrrolidin-2-yl)-N-butylpyridin-2-amine
CID 102540253
2-(1-benzylpiperidin-2-yl)-3-methylpyridine
CID 102539039
1-[3-(1-benzylpiperidin-2-yl)-2-pyridinyl]piperazine
CID 102541676
tert-butyl N-[3-(1-benzylpyrrolidin-2-yl)-2-pyridinyl]-N-cyclopropylcarbamate
CID 102541149
4-[(2S)-1-benzylpyrrolidin-2-yl]-2-methylpyridine
CID 124500070
2-[(2R)-1-benzylpyrrolidin-2-yl]-1H-pyrrolo[2,3-b]pyridine
CID 92574832
4-(1-benzylpyrrolidin-2-yl)pyrimidine
CID 175656203
2-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine
CID 95841459
3-piperidin-2-yl-2-propan-2-ylsulfanylpyridine
CID 102542304

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylpyrrolidin-2-yl)-2-propan-2-ylsulfanylpyridine?
The IUPAC name of 3-(1-benzylpyrrolidin-2-yl)-2-propan-2-ylsulfanylpyridine (CID 102542292) is 3-(1-benzylpyrrolidin-2-yl)-2-propan-2-ylsulfanylpyridine.
What is the SMILES notation for 3-(1-benzylpyrrolidin-2-yl)-2-propan-2-ylsulfanylpyridine?
The canonical SMILES for 3-(1-benzylpyrrolidin-2-yl)-2-propan-2-ylsulfanylpyridine is CC(C)Sc1ncccc1C1CCCN1Cc1ccccc1.
What is the InChIKey of 3-(1-benzylpyrrolidin-2-yl)-2-propan-2-ylsulfanylpyridine?
The InChIKey is HIGPNYLXXJDMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2S/c1-15(2)22-19-17(10-6-12-20-19)18-11-7-13-21(18)14-16-8-4-3-5-9-16/h3-6,8-10,12,15,18H,7,11,13-14H2,1-2H3.
What are the key properties of 3-(1-benzylpyrrolidin-2-yl)-2-propan-2-ylsulfanylpyridine?
3-(1-benzylpyrrolidin-2-yl)-2-propan-2-ylsulfanylpyridine has a molecular weight of 312.48 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylpyrrolidin-2-yl)-2-propan-2-ylsulfanylpyridine is sourced from PubChem (CID 102542292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).