5-morpholin-4-ylsulfonylpyridine-2-thiolate

C9H11N2O3S2- — CID 7063956

IUPAC5-morpholin-4-ylsulfonylpyridine-2-thiolate
SMILESO=S(=O)(c1ccc([S-])nc1)N1CCOCC1
InChIInChI=1S/C9H12N2O3S2/c12-16(13,11-3-5-14-6-4-11)8-1-2-9(15)10-7-8/h1-2,7H,3-6H2,(H,10,15)/p-1
InChIKeyVCNXVLIMLQVVFT-UHFFFAOYSA-M
MW259.33 g/mol
LogP0.01
Rot. Bonds2

About 5-morpholin-4-ylsulfonylpyridine-2-thiolate

5-morpholin-4-ylsulfonylpyridine-2-thiolate (PubChem CID 7063956) has the molecular formula C9H11N2O3S2- and a molecular weight of 259.33 g/mol. Its IUPAC name is 5-morpholin-4-ylsulfonylpyridine-2-thiolate.

Molecular Properties

Compound Name5-morpholin-4-ylsulfonylpyridine-2-thiolate
PubChem CID7063956
Molecular FormulaC9H11N2O3S2-
Molecular Weight259.33 g/mol
Exact Mass259.02
IUPAC Name5-morpholin-4-ylsulfonylpyridine-2-thiolate
SMILESO=S(=O)(c1ccc([S-])nc1)N1CCOCC1
InChIInChI=1S/C9H12N2O3S2/c12-16(13,11-3-5-14-6-4-11)8-1-2-9(15)10-7-8/h1-2,7H,3-6H2,(H,10,15)/p-1
InChIKeyVCNXVLIMLQVVFT-UHFFFAOYSA-M
XLogP0.01
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

4-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)oxy]benzonitrile
CID 24979086
N-(4-methylphenyl)-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 5268105
(2S,6R)-2,6-dimethyl-4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)morpholine
CID 7042964
4,10-bis-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10-diazacyclododecane
CID 1101145
N-[(1S,2S)-2-methylcyclohexyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 9311729
4-[[6-[(2-chlorophenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine
CID 17390596
N-cyclohex-3-en-1-yl-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 133322670
4-[[6-(2,3-dimethylpyrrolidin-1-yl)-3-pyridinyl]sulfonyl]morpholine
CID 133357732
N-butyl-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 5268046
4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-1,4-oxazepane
CID 64608038
N-(1-ethylpiperidin-4-yl)-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 8566045
N,N-bis(2-methoxyethyl)-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 55346673

Frequently Asked Questions

What is the IUPAC name of 5-morpholin-4-ylsulfonylpyridine-2-thiolate?
The IUPAC name of 5-morpholin-4-ylsulfonylpyridine-2-thiolate (CID 7063956) is 5-morpholin-4-ylsulfonylpyridine-2-thiolate.
What is the SMILES notation for 5-morpholin-4-ylsulfonylpyridine-2-thiolate?
The canonical SMILES for 5-morpholin-4-ylsulfonylpyridine-2-thiolate is O=S(=O)(c1ccc([S-])nc1)N1CCOCC1.
What is the InChIKey of 5-morpholin-4-ylsulfonylpyridine-2-thiolate?
The InChIKey is VCNXVLIMLQVVFT-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H12N2O3S2/c12-16(13,11-3-5-14-6-4-11)8-1-2-9(15)10-7-8/h1-2,7H,3-6H2,(H,10,15)/p-1.
What are the key properties of 5-morpholin-4-ylsulfonylpyridine-2-thiolate?
5-morpholin-4-ylsulfonylpyridine-2-thiolate has a molecular weight of 259.33 g/mol, XLogP of 0.01, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-ylsulfonylpyridine-2-thiolate is sourced from PubChem (CID 7063956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).