2-(piperidin-3-ylmethylsulfanylmethyl)pyridine

C12H18N2S — CID 71637112

IUPAC2-(piperidin-3-ylmethylsulfanylmethyl)pyridine
SMILESc1ccc(CSCC2CCCNC2)nc1
InChIInChI=1S/C12H18N2S/c1-2-7-14-12(5-1)10-15-9-11-4-3-6-13-8-11/h1-2,5,7,11,13H,3-4,6,8-10H2
InChIKeySCMMPPFBZALNMJ-UHFFFAOYSA-N
MW222.36 g/mol
LogP2.31
Rot. Bonds4

About 2-(piperidin-3-ylmethylsulfanylmethyl)pyridine

2-(piperidin-3-ylmethylsulfanylmethyl)pyridine (PubChem CID 71637112) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is 2-(piperidin-3-ylmethylsulfanylmethyl)pyridine.

Molecular Properties

Compound Name2-(piperidin-3-ylmethylsulfanylmethyl)pyridine
PubChem CID71637112
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC Name2-(piperidin-3-ylmethylsulfanylmethyl)pyridine
SMILESc1ccc(CSCC2CCCNC2)nc1
InChIInChI=1S/C12H18N2S/c1-2-7-14-12(5-1)10-15-9-11-4-3-6-13-8-11/h1-2,5,7,11,13H,3-4,6,8-10H2
InChIKeySCMMPPFBZALNMJ-UHFFFAOYSA-N
XLogP2.31
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(piperidin-3-ylmethyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide;dihydrochloride
CID 119461406
N-(2-piperidin-3-ylethyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide;dihydrochloride
CID 119556484
2-(oxan-3-ylmethylsulfanylmethyl)pyridine
CID 84597044
2-[[(3S)-piperidin-3-yl]methylsulfonylmethyl]pyridine
CID 97165998
2-(pyrrolidin-3-ylmethyl)pyridine;hydrochloride
CID 86262770
N-methyl-2-piperidin-3-yl-N-(pyridin-2-ylmethyl)acetamide
CID 55105100
2-(pyridin-2-ylmethylsulfanylmethyl)pyridine
CID 12047870
N-(pyridin-2-ylmethyl)piperidin-3-amine;trihydrochloride
CID 75994063
N-(piperidin-3-ylmethyl)-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 106640814
2-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]pyridine
CID 94408883
2-[2-[(3R)-piperidin-3-yl]ethoxy]pyridine
CID 94409716
3-[(2-methylphenyl)methylsulfanylmethyl]pyrrolidine
CID 62769826

Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-3-ylmethylsulfanylmethyl)pyridine?
The IUPAC name of 2-(piperidin-3-ylmethylsulfanylmethyl)pyridine (CID 71637112) is 2-(piperidin-3-ylmethylsulfanylmethyl)pyridine.
What is the SMILES notation for 2-(piperidin-3-ylmethylsulfanylmethyl)pyridine?
The canonical SMILES for 2-(piperidin-3-ylmethylsulfanylmethyl)pyridine is c1ccc(CSCC2CCCNC2)nc1.
What is the InChIKey of 2-(piperidin-3-ylmethylsulfanylmethyl)pyridine?
The InChIKey is SCMMPPFBZALNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S/c1-2-7-14-12(5-1)10-15-9-11-4-3-6-13-8-11/h1-2,5,7,11,13H,3-4,6,8-10H2.
What are the key properties of 2-(piperidin-3-ylmethylsulfanylmethyl)pyridine?
2-(piperidin-3-ylmethylsulfanylmethyl)pyridine has a molecular weight of 222.36 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-3-ylmethylsulfanylmethyl)pyridine is sourced from PubChem (CID 71637112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).