hydroxy-oxo-(2-pyridin-4-ylethyl)-sulfanylidene-λ6-sulfane

C7H9NO2S2 — CID 22944914

IUPAChydroxy-oxo-(2-pyridin-4-ylethyl)-sulfanylidene-λ6-sulfane
SMILESO=S(O)(=S)CCc1ccncc1
InChIInChI=1S/C7H9NO2S2/c9-12(10,11)6-3-7-1-4-8-5-2-7/h1-2,4-5H,3,6H2,(H,9,10,11)
InChIKeyAKNSPZUSOLVWIZ-UHFFFAOYSA-N
MW203.29 g/mol
LogP0.84
Rot. Bonds3

About hydroxy-oxo-(2-pyridin-4-ylethyl)-sulfanylidene-λ6-sulfane

hydroxy-oxo-(2-pyridin-4-ylethyl)-sulfanylidene-λ6-sulfane (PubChem CID 22944914) has the molecular formula C7H9NO2S2 and a molecular weight of 203.29 g/mol. Its IUPAC name is hydroxy-oxo-(2-pyridin-4-ylethyl)-sulfanylidene-λ6-sulfane.

Molecular Properties

Compound Namehydroxy-oxo-(2-pyridin-4-ylethyl)-sulfanylidene-λ6-sulfane
PubChem CID22944914
Molecular FormulaC7H9NO2S2
Molecular Weight203.29 g/mol
Exact Mass203.01
IUPAC Namehydroxy-oxo-(2-pyridin-4-ylethyl)-sulfanylidene-λ6-sulfane
SMILESO=S(O)(=S)CCc1ccncc1
InChIInChI=1S/C7H9NO2S2/c9-12(10,11)6-3-7-1-4-8-5-2-7/h1-2,4-5H,3,6H2,(H,9,10,11)
InChIKeyAKNSPZUSOLVWIZ-UHFFFAOYSA-N
XLogP0.84
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 88691160
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2-(2-pyridin-4-ylethylsulfonyl)acetic acid
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2-ethyl-2-(2-pyridin-4-ylethylsulfonylamino)butanoic acid
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1-(2-pyridin-4-ylethylsulfonyl)azetidin-3-ol
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4-(2-pyridin-4-ylethyl)pyridine;dihydrochloride
CID 131859960
4-(2-pyridin-4-ylethyl)pyridine;hydrochloride
CID 18530302
4-(2-pyrrolidin-1-ylsulfonylethyl)pyridine
CID 62732930
N-methoxy-2-pyridin-4-ylethanesulfonamide
CID 64973891
N-[2-(4-hydroxyphenyl)ethyl]-2-pyridin-4-ylethanesulfonamide
CID 61017540
N-[[4-(bromomethyl)phenyl]methyl]-2-pyridin-4-ylethanesulfonamide
CID 107233960

Frequently Asked Questions

What is the IUPAC name of hydroxy-oxo-(2-pyridin-4-ylethyl)-sulfanylidene-λ6-sulfane?
The IUPAC name of hydroxy-oxo-(2-pyridin-4-ylethyl)-sulfanylidene-λ6-sulfane (CID 22944914) is hydroxy-oxo-(2-pyridin-4-ylethyl)-sulfanylidene-λ6-sulfane.
What is the SMILES notation for hydroxy-oxo-(2-pyridin-4-ylethyl)-sulfanylidene-λ6-sulfane?
The canonical SMILES for hydroxy-oxo-(2-pyridin-4-ylethyl)-sulfanylidene-λ6-sulfane is O=S(O)(=S)CCc1ccncc1.
What is the InChIKey of hydroxy-oxo-(2-pyridin-4-ylethyl)-sulfanylidene-λ6-sulfane?
The InChIKey is AKNSPZUSOLVWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S2/c9-12(10,11)6-3-7-1-4-8-5-2-7/h1-2,4-5H,3,6H2,(H,9,10,11).
What are the key properties of hydroxy-oxo-(2-pyridin-4-ylethyl)-sulfanylidene-λ6-sulfane?
hydroxy-oxo-(2-pyridin-4-ylethyl)-sulfanylidene-λ6-sulfane has a molecular weight of 203.29 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-oxo-(2-pyridin-4-ylethyl)-sulfanylidene-λ6-sulfane is sourced from PubChem (CID 22944914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).