2-pyridin-3-yl-3,6-dihydro-2H-thiopyran 1-oxide

C10H11NOS — CID 102174831

IUPAC2-pyridin-3-yl-3,6-dihydro-2H-thiopyran 1-oxide
SMILESO=S1CC=CCC1c1cccnc1
InChIInChI=1S/C10H11NOS/c12-13-7-2-1-5-10(13)9-4-3-6-11-8-9/h1-4,6,8,10H,5,7H2
InChIKeyFOADNLXRHCRPBT-UHFFFAOYSA-N
MW193.27 g/mol
LogP1.83
Rot. Bonds1

About 2-pyridin-3-yl-3,6-dihydro-2H-thiopyran 1-oxide

2-pyridin-3-yl-3,6-dihydro-2H-thiopyran 1-oxide (PubChem CID 102174831) has the molecular formula C10H11NOS and a molecular weight of 193.27 g/mol. Its IUPAC name is 2-pyridin-3-yl-3,6-dihydro-2H-thiopyran 1-oxide.

Molecular Properties

Compound Name2-pyridin-3-yl-3,6-dihydro-2H-thiopyran 1-oxide
PubChem CID102174831
Molecular FormulaC10H11NOS
Molecular Weight193.27 g/mol
Exact Mass193.06
IUPAC Name2-pyridin-3-yl-3,6-dihydro-2H-thiopyran 1-oxide
SMILESO=S1CC=CCC1c1cccnc1
InChIInChI=1S/C10H11NOS/c12-13-7-2-1-5-10(13)9-4-3-6-11-8-9/h1-4,6,8,10H,5,7H2
InChIKeyFOADNLXRHCRPBT-UHFFFAOYSA-N
XLogP1.83
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-pyridin-3-yl-3,6-dihydro-2H-pyridine-1-carbaldehyde
CID 528365
3-[(2S)-aziridin-2-yl]pyridine
CID 55263397
ethyl 6-pyridin-3-ylcyclohex-3-ene-1-carboxylate
CID 2798128
3-cyclopent-2-en-1-ylpyridine
CID 131859585
3-[3-(3,5-dipyridin-3-ylcyclohexyl)-5-pyridin-3-ylcyclohexyl]pyridine
CID 58652188
3-[(1R,2R)-2-methylcyclopropyl]pyridine
CID 59474162
3-(2-bromocyclopropyl)pyridine
CID 130539890
3-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-one
CID 174858264
3-[(2S)-1-ethyl-1-methyl-3,6-dihydro-2H-pyridin-1-ium-2-yl]pyridine
CID 154957691
1-methyl-2-pyridin-3-ylazetidin-3-one;oxalic acid
CID 69430460
3-(6-cyclopent-3-en-1-yloxan-3-yl)pyridine
CID 71259029
1,1-dimethyl-5-pyridin-3-ylpyrrolidin-1-ium-2-one
CID 14767414

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-3,6-dihydro-2H-thiopyran 1-oxide?
The IUPAC name of 2-pyridin-3-yl-3,6-dihydro-2H-thiopyran 1-oxide (CID 102174831) is 2-pyridin-3-yl-3,6-dihydro-2H-thiopyran 1-oxide.
What is the SMILES notation for 2-pyridin-3-yl-3,6-dihydro-2H-thiopyran 1-oxide?
The canonical SMILES for 2-pyridin-3-yl-3,6-dihydro-2H-thiopyran 1-oxide is O=S1CC=CCC1c1cccnc1.
What is the InChIKey of 2-pyridin-3-yl-3,6-dihydro-2H-thiopyran 1-oxide?
The InChIKey is FOADNLXRHCRPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS/c12-13-7-2-1-5-10(13)9-4-3-6-11-8-9/h1-4,6,8,10H,5,7H2.
What are the key properties of 2-pyridin-3-yl-3,6-dihydro-2H-thiopyran 1-oxide?
2-pyridin-3-yl-3,6-dihydro-2H-thiopyran 1-oxide has a molecular weight of 193.27 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-3,6-dihydro-2H-thiopyran 1-oxide is sourced from PubChem (CID 102174831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).