2-(3-pyrrolidin-2-ylpropylsulfanyl)pyridine

C12H18N2S — CID 62480493

IUPAC2-(3-pyrrolidin-2-ylpropylsulfanyl)pyridine
SMILESc1ccc(SCCCC2CCCN2)nc1
InChIInChI=1S/C12H18N2S/c1-2-8-14-12(7-1)15-10-4-6-11-5-3-9-13-11/h1-2,7-8,11,13H,3-6,9-10H2
InChIKeyBSICSHKNNWONNU-UHFFFAOYSA-N
MW222.36 g/mol
LogP2.71
Rot. Bonds5

About 2-(3-pyrrolidin-2-ylpropylsulfanyl)pyridine

2-(3-pyrrolidin-2-ylpropylsulfanyl)pyridine (PubChem CID 62480493) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is 2-(3-pyrrolidin-2-ylpropylsulfanyl)pyridine.

Molecular Properties

Compound Name2-(3-pyrrolidin-2-ylpropylsulfanyl)pyridine
PubChem CID62480493
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC Name2-(3-pyrrolidin-2-ylpropylsulfanyl)pyridine
SMILESc1ccc(SCCCC2CCCN2)nc1
InChIInChI=1S/C12H18N2S/c1-2-8-14-12(7-1)15-10-4-6-11-5-3-9-13-11/h1-2,7-8,11,13H,3-6,9-10H2
InChIKeyBSICSHKNNWONNU-UHFFFAOYSA-N
XLogP2.71
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4,6-dimethyl-2-(3-pyrrolidin-2-ylpropylsulfanyl)pyrimidine
CID 62480857
2-[3-(4-bromophenyl)sulfanylpropyl]pyrrolidine
CID 62478365
1-methyl-4-(3-pyrrolidin-2-ylpropylsulfanyl)pyrazole
CID 62480496
2-(2-pyrrolidin-2-ylethylsulfanyl)phenol
CID 84688727
3-(2-piperidin-2-ylethyl)azepin-2-imine;dihydrochloride
CID 141039441
2-(3-methylsulfanylpropyl)pyrrolidine
CID 62479260
6-pyridin-2-ylsulfanylhexan-1-amine
CID 15227692
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyridine-2-carboxamide
CID 104955318
2-[2-(2-fluorophenyl)sulfanylethyl]pyrrolidine
CID 84690030
4-[[(2S)-pyrrolidin-2-yl]methylsulfanyl]pyrimidine
CID 102820373
2-pyridin-2-yl-N-(2-pyrrolidin-2-ylethyl)ethanesulfonamide
CID 114794213
1-methyl-5-(3-pyrrolidin-2-ylpropylsulfanyl)tetrazole
CID 62480319

Frequently Asked Questions

What is the IUPAC name of 2-(3-pyrrolidin-2-ylpropylsulfanyl)pyridine?
The IUPAC name of 2-(3-pyrrolidin-2-ylpropylsulfanyl)pyridine (CID 62480493) is 2-(3-pyrrolidin-2-ylpropylsulfanyl)pyridine.
What is the SMILES notation for 2-(3-pyrrolidin-2-ylpropylsulfanyl)pyridine?
The canonical SMILES for 2-(3-pyrrolidin-2-ylpropylsulfanyl)pyridine is c1ccc(SCCCC2CCCN2)nc1.
What is the InChIKey of 2-(3-pyrrolidin-2-ylpropylsulfanyl)pyridine?
The InChIKey is BSICSHKNNWONNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S/c1-2-8-14-12(7-1)15-10-4-6-11-5-3-9-13-11/h1-2,7-8,11,13H,3-6,9-10H2.
What are the key properties of 2-(3-pyrrolidin-2-ylpropylsulfanyl)pyridine?
2-(3-pyrrolidin-2-ylpropylsulfanyl)pyridine has a molecular weight of 222.36 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyrrolidin-2-ylpropylsulfanyl)pyridine is sourced from PubChem (CID 62480493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).