3-(but-2-ynylsulfanylmethyl)pyridine

C10H11NS — CID 130709571

IUPAC3-(but-2-ynylsulfanylmethyl)pyridine
SMILESCC#CCSCc1cccnc1
InChIInChI=1S/C10H11NS/c1-2-3-7-12-9-10-5-4-6-11-8-10/h4-6,8H,7,9H2,1H3
InChIKeyJVKYVMZHAMCSSI-UHFFFAOYSA-N
MW177.27 g/mol
LogP2.34
Rot. Bonds3

About 3-(but-2-ynylsulfanylmethyl)pyridine

3-(but-2-ynylsulfanylmethyl)pyridine (PubChem CID 130709571) has the molecular formula C10H11NS and a molecular weight of 177.27 g/mol. Its IUPAC name is 3-(but-2-ynylsulfanylmethyl)pyridine.

Molecular Properties

Compound Name3-(but-2-ynylsulfanylmethyl)pyridine
PubChem CID130709571
Molecular FormulaC10H11NS
Molecular Weight177.27 g/mol
Exact Mass177.06
IUPAC Name3-(but-2-ynylsulfanylmethyl)pyridine
SMILESCC#CCSCc1cccnc1
InChIInChI=1S/C10H11NS/c1-2-3-7-12-9-10-5-4-6-11-8-10/h4-6,8H,7,9H2,1H3
InChIKeyJVKYVMZHAMCSSI-UHFFFAOYSA-N
XLogP2.34
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(but-2-ynylsulfanylmethyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(ethylsulfanylmethyl)pyridine
CID 3025109
3-(benzylsulfanylmethyl)pyridine
CID 3025143
2-methyl-1-(pyridin-3-ylmethylsulfanyl)propan-2-amine
CID 66230417
3-(ethynylsulfanylmethyl)pyridine
CID 69152778
3-(2,2-dimethylpropyl)pyridine;methane
CID 160666805
3-ethylpyridine
CID 10823
3-(pyridin-3-ylmethyl)pyridine
CID 14762640
6-(pyridin-3-ylmethylsulfanylmethyl)isoquinoline
CID 166359977
2-methyl-1-pyridin-3-ylpropan-2-amine;dihydrochloride
CID 131637820
3-(phenylsulfanylmethyl)pyridine;hydrochloride
CID 71374325
3-[[2-[4,5-bis(pyridin-3-ylmethylsulfanyl)-1,3-dithiol-2-ylidene]-5-(pyridin-3-ylmethylsulfanyl)-1,3-dithiol-4-yl]sulfanylmethyl]pyridine
CID 101228131
CID 174532487
CID 174532487

Frequently Asked Questions

What is the IUPAC name of 3-(but-2-ynylsulfanylmethyl)pyridine?
The IUPAC name of 3-(but-2-ynylsulfanylmethyl)pyridine (CID 130709571) is 3-(but-2-ynylsulfanylmethyl)pyridine.
What is the SMILES notation for 3-(but-2-ynylsulfanylmethyl)pyridine?
The canonical SMILES for 3-(but-2-ynylsulfanylmethyl)pyridine is CC#CCSCc1cccnc1.
What is the InChIKey of 3-(but-2-ynylsulfanylmethyl)pyridine?
The InChIKey is JVKYVMZHAMCSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NS/c1-2-3-7-12-9-10-5-4-6-11-8-10/h4-6,8H,7,9H2,1H3.
What are the key properties of 3-(but-2-ynylsulfanylmethyl)pyridine?
3-(but-2-ynylsulfanylmethyl)pyridine has a molecular weight of 177.27 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(but-2-ynylsulfanylmethyl)pyridine is sourced from PubChem (CID 130709571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).