4-(pyrrolidin-3-ylmethylsulfanyl)pyridine;hydrochloride

C10H15ClN2S — CID 71303201

IUPAC4-(pyrrolidin-3-ylmethylsulfanyl)pyridine;hydrochloride
SMILESCl.c1cc(SCC2CCNC2)ccn1
InChIInChI=1S/C10H14N2S.ClH/c1-4-12-7-9(1)8-13-10-2-5-11-6-3-10;/h2-3,5-6,9,12H,1,4,7-8H2;1H
InChIKeyJVZQZCAOABJKTI-UHFFFAOYSA-N
MW230.76 g/mol
LogP2.20
Rot. Bonds3

About 4-(pyrrolidin-3-ylmethylsulfanyl)pyridine;hydrochloride

4-(pyrrolidin-3-ylmethylsulfanyl)pyridine;hydrochloride (PubChem CID 71303201) has the molecular formula C10H15ClN2S and a molecular weight of 230.76 g/mol. Its IUPAC name is 4-(pyrrolidin-3-ylmethylsulfanyl)pyridine;hydrochloride.

Molecular Properties

Compound Name4-(pyrrolidin-3-ylmethylsulfanyl)pyridine;hydrochloride
PubChem CID71303201
Molecular FormulaC10H15ClN2S
Molecular Weight230.76 g/mol
Exact Mass230.06
IUPAC Name4-(pyrrolidin-3-ylmethylsulfanyl)pyridine;hydrochloride
SMILESCl.c1cc(SCC2CCNC2)ccn1
InChIInChI=1S/C10H14N2S.ClH/c1-4-12-7-9(1)8-13-10-2-5-11-6-3-10;/h2-3,5-6,9,12H,1,4,7-8H2;1H
InChIKeyJVZQZCAOABJKTI-UHFFFAOYSA-N
XLogP2.20
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.76
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(pyrrolidin-3-ylmethylsulfanyl)pyrimidine
CID 63697837
4-(pyrrolidin-3-ylmethylsulfanylmethyl)pyridine
CID 71637133
4-(2-pyrrolidin-3-ylethyl)pyridine;dihydrochloride
CID 126845941
2-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]pyridine
CID 94408883
3-[(4-methylphenyl)sulfanylmethyl]piperidine;hydrochloride
CID 72716539
N-[4-(pyrrolidin-3-ylmethylsulfanyl)phenyl]acetamide
CID 117033086
3-(phenylsulfanylmethyl)pyrrolidine;2,2,2-trifluoroacetic acid
CID 23184280
4-(2-pyrrolidin-3-ylethyl)pyridine
CID 83481928
5-(pyrrolidin-3-ylmethylsulfanyl)-1H-1,2,4-triazole
CID 62371632
4-(1-pyrrolidin-3-ylpropan-2-yl)pyridine
CID 83907315
4-methyl-2-(pyrrolidin-3-ylmethylsulfanyl)pyrimidine
CID 62371819
2-chloro-4-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]pyrimidine
CID 97163842

Frequently Asked Questions

What is the IUPAC name of 4-(pyrrolidin-3-ylmethylsulfanyl)pyridine;hydrochloride?
The IUPAC name of 4-(pyrrolidin-3-ylmethylsulfanyl)pyridine;hydrochloride (CID 71303201) is 4-(pyrrolidin-3-ylmethylsulfanyl)pyridine;hydrochloride.
What is the SMILES notation for 4-(pyrrolidin-3-ylmethylsulfanyl)pyridine;hydrochloride?
The canonical SMILES for 4-(pyrrolidin-3-ylmethylsulfanyl)pyridine;hydrochloride is Cl.c1cc(SCC2CCNC2)ccn1.
What is the InChIKey of 4-(pyrrolidin-3-ylmethylsulfanyl)pyridine;hydrochloride?
The InChIKey is JVZQZCAOABJKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S.ClH/c1-4-12-7-9(1)8-13-10-2-5-11-6-3-10;/h2-3,5-6,9,12H,1,4,7-8H2;1H.
What are the key properties of 4-(pyrrolidin-3-ylmethylsulfanyl)pyridine;hydrochloride?
4-(pyrrolidin-3-ylmethylsulfanyl)pyridine;hydrochloride has a molecular weight of 230.76 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyrrolidin-3-ylmethylsulfanyl)pyridine;hydrochloride is sourced from PubChem (CID 71303201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).