3-pyridin-2-ylsulfanylthiane 1,1-dioxide

C10H13NO2S2 — CID 11687384

IUPAC3-pyridin-2-ylsulfanylthiane 1,1-dioxide
SMILESO=S1(=O)CCCC(Sc2ccccn2)C1
InChIInChI=1S/C10H13NO2S2/c12-15(13)7-3-4-9(8-15)14-10-5-1-2-6-11-10/h1-2,5-6,9H,3-4,7-8H2
InChIKeyQRVVVGJOUJNJMG-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.75
Rot. Bonds2

About 3-pyridin-2-ylsulfanylthiane 1,1-dioxide

3-pyridin-2-ylsulfanylthiane 1,1-dioxide (PubChem CID 11687384) has the molecular formula C10H13NO2S2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-pyridin-2-ylsulfanylthiane 1,1-dioxide.

Molecular Properties

Compound Name3-pyridin-2-ylsulfanylthiane 1,1-dioxide
PubChem CID11687384
Molecular FormulaC10H13NO2S2
Molecular Weight243.35 g/mol
Exact Mass243.04
IUPAC Name3-pyridin-2-ylsulfanylthiane 1,1-dioxide
SMILESO=S1(=O)CCCC(Sc2ccccn2)C1
InChIInChI=1S/C10H13NO2S2/c12-15(13)7-3-4-9(8-15)14-10-5-1-2-6-11-10/h1-2,5-6,9H,3-4,7-8H2
InChIKeyQRVVVGJOUJNJMG-UHFFFAOYSA-N
XLogP1.75
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-1,1-dioxothiolan-3-yl]-4-pyridin-2-ylsulfanylbenzamide
CID 94796018
2-pyridin-2-ylsulfanylcyclohexan-1-ol
CID 13434052
N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-pyridin-2-ylsulfanylacetamide
CID 7376539
3-bromo-N-(1,1-dioxothian-3-yl)pyridin-2-amine
CID 63922588
tert-butyl (3S)-3-pyridin-2-ylsulfanylpiperidine-1-carboxylate
CID 95387140
2-(1-ethylpyrrolidin-3-yl)sulfanylpyridine
CID 142009713
N-[(3R)-1,1-dioxothiolan-3-yl]-N-phenyl-2-pyridin-2-ylsulfanylacetamide
CID 7376530
3-pyridazin-3-ylthiane 1,1-dioxide
CID 117105552
N-(1,1-dioxothian-3-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 63922973
3-(triazolo[4,5-b]pyridin-3-yl)thiane 1,1-dioxide
CID 117159303
1-(methylamino)-3-pyridin-2-ylsulfanylcyclopentane-1-carboxamide
CID 79654317
N-(1,1-dioxothian-3-yl)-5-pyridin-2-yl-1H-pyrazol-4-amine
CID 154770886

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-ylsulfanylthiane 1,1-dioxide?
The IUPAC name of 3-pyridin-2-ylsulfanylthiane 1,1-dioxide (CID 11687384) is 3-pyridin-2-ylsulfanylthiane 1,1-dioxide.
What is the SMILES notation for 3-pyridin-2-ylsulfanylthiane 1,1-dioxide?
The canonical SMILES for 3-pyridin-2-ylsulfanylthiane 1,1-dioxide is O=S1(=O)CCCC(Sc2ccccn2)C1.
What is the InChIKey of 3-pyridin-2-ylsulfanylthiane 1,1-dioxide?
The InChIKey is QRVVVGJOUJNJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S2/c12-15(13)7-3-4-9(8-15)14-10-5-1-2-6-11-10/h1-2,5-6,9H,3-4,7-8H2.
What are the key properties of 3-pyridin-2-ylsulfanylthiane 1,1-dioxide?
3-pyridin-2-ylsulfanylthiane 1,1-dioxide has a molecular weight of 243.35 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-ylsulfanylthiane 1,1-dioxide is sourced from PubChem (CID 11687384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).