2-propyl-3-[(2-propyl-3-pyridinyl)disulfanyl]pyridine

C16H20N2S2 — CID 160565101

IUPAC2-propyl-3-[(2-propyl-3-pyridinyl)disulfanyl]pyridine
SMILESCCCc1ncccc1SSc1cccnc1CCC
InChIInChI=1S/C16H20N2S2/c1-3-7-13-15(9-5-11-17-13)19-20-16-10-6-12-18-14(16)8-4-2/h5-6,9-12H,3-4,7-8H2,1-2H3
InChIKeyQZUUXOYGCIDHIO-UHFFFAOYSA-N
MW304.48 g/mol
LogP5.18
Rot. Bonds7

About 2-propyl-3-[(2-propyl-3-pyridinyl)disulfanyl]pyridine

2-propyl-3-[(2-propyl-3-pyridinyl)disulfanyl]pyridine (PubChem CID 160565101) has the molecular formula C16H20N2S2 and a molecular weight of 304.48 g/mol. Its IUPAC name is 2-propyl-3-[(2-propyl-3-pyridinyl)disulfanyl]pyridine.

Molecular Properties

Compound Name2-propyl-3-[(2-propyl-3-pyridinyl)disulfanyl]pyridine
PubChem CID160565101
Molecular FormulaC16H20N2S2
Molecular Weight304.48 g/mol
Exact Mass304.11
IUPAC Name2-propyl-3-[(2-propyl-3-pyridinyl)disulfanyl]pyridine
SMILESCCCc1ncccc1SSc1cccnc1CCC
InChIInChI=1S/C16H20N2S2/c1-3-7-13-15(9-5-11-17-13)19-20-16-10-6-12-18-14(16)8-4-2/h5-6,9-12H,3-4,7-8H2,1-2H3
InChIKeyQZUUXOYGCIDHIO-UHFFFAOYSA-N
XLogP5.18
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.48
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,3-dipropylpyridine
CID 19593488
3-(bromomethyl)-2-propylpyridine
CID 141230444
3-(2-chlorophenyl)-2-propylpyridine
CID 71204387
azane;2-butyl-3-methylpyridine
CID 175305988
(2-propyl-3-pyridinyl) hydrogen sulfate
CID 141269769
2-methylsulfanyl-3-propylpyridine
CID 142155621
2-methyl-3-propylpyridine
CID 18662893
3-propyl-2-(trifluoromethyl)pyridine
CID 19881646
ethane;1,5-naphthyridine;propane
CID 142434189
2-methyl-3-methylsulfanylpyridine;propane
CID 142465096
2,3-diethylpyridine
CID 14747123
1-(3-chloro-2-pyridinyl)pentan-2-ol
CID 63201642

Frequently Asked Questions

What is the IUPAC name of 2-propyl-3-[(2-propyl-3-pyridinyl)disulfanyl]pyridine?
The IUPAC name of 2-propyl-3-[(2-propyl-3-pyridinyl)disulfanyl]pyridine (CID 160565101) is 2-propyl-3-[(2-propyl-3-pyridinyl)disulfanyl]pyridine.
What is the SMILES notation for 2-propyl-3-[(2-propyl-3-pyridinyl)disulfanyl]pyridine?
The canonical SMILES for 2-propyl-3-[(2-propyl-3-pyridinyl)disulfanyl]pyridine is CCCc1ncccc1SSc1cccnc1CCC.
What is the InChIKey of 2-propyl-3-[(2-propyl-3-pyridinyl)disulfanyl]pyridine?
The InChIKey is QZUUXOYGCIDHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S2/c1-3-7-13-15(9-5-11-17-13)19-20-16-10-6-12-18-14(16)8-4-2/h5-6,9-12H,3-4,7-8H2,1-2H3.
What are the key properties of 2-propyl-3-[(2-propyl-3-pyridinyl)disulfanyl]pyridine?
2-propyl-3-[(2-propyl-3-pyridinyl)disulfanyl]pyridine has a molecular weight of 304.48 g/mol, XLogP of 5.18, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-3-[(2-propyl-3-pyridinyl)disulfanyl]pyridine is sourced from PubChem (CID 160565101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).