4-[[6-[2-(3-methylphenoxy)ethylsulfanyl]-3-pyridinyl]sulfonyl]morpholine

C18H22N2O4S2 — CID 7570076

IUPAC4-[[6-[2-(3-methylphenoxy)ethylsulfanyl]-3-pyridinyl]sulfonyl]morpholine
SMILESCc1cccc(OCCSc2ccc(S(=O)(=O)N3CCOCC3)cn2)c1
InChIInChI=1S/C18H22N2O4S2/c1-15-3-2-4-16(13-15)24-11-12-25-18-6-5-17(14-19-18)26(21,22)20-7-9-23-10-8-20/h2-6,13-14H,7-12H2,1H3
InChIKeyWGYMTEKRQNJXOX-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.58
Rot. Bonds7

About 4-[[6-[2-(3-methylphenoxy)ethylsulfanyl]-3-pyridinyl]sulfonyl]morpholine

4-[[6-[2-(3-methylphenoxy)ethylsulfanyl]-3-pyridinyl]sulfonyl]morpholine (PubChem CID 7570076) has the molecular formula C18H22N2O4S2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 4-[[6-[2-(3-methylphenoxy)ethylsulfanyl]-3-pyridinyl]sulfonyl]morpholine.

Molecular Properties

Compound Name4-[[6-[2-(3-methylphenoxy)ethylsulfanyl]-3-pyridinyl]sulfonyl]morpholine
PubChem CID7570076
Molecular FormulaC18H22N2O4S2
Molecular Weight394.52 g/mol
Exact Mass394.10
IUPAC Name4-[[6-[2-(3-methylphenoxy)ethylsulfanyl]-3-pyridinyl]sulfonyl]morpholine
SMILESCc1cccc(OCCSc2ccc(S(=O)(=O)N3CCOCC3)cn2)c1
InChIInChI=1S/C18H22N2O4S2/c1-15-3-2-4-16(13-15)24-11-12-25-18-6-5-17(14-19-18)26(21,22)20-7-9-23-10-8-20/h2-6,13-14H,7-12H2,1H3
InChIKeyWGYMTEKRQNJXOX-UHFFFAOYSA-N
XLogP2.58
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-dimethylphenyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 17432955
N-(3,5-dimethylphenyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 17429620
2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]-1-naphthalen-2-ylethanone
CID 38974013
4-[[6-[(2-chlorophenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine
CID 17390596
4-[4-[(3-methylphenyl)methoxy]phenyl]sulfonylmorpholine
CID 9332672
4-[[6-[4-[2-(3,5-dimethylphenoxy)ethyl]piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine
CID 24595656
N-[(4-methylphenyl)methyl]-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 55377614
1-(azepan-1-yl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]ethanone
CID 7569990
ethyl (2S)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]propanoate
CID 52511353
2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]-N-[(1S)-1-phenylethyl]acetamide
CID 7774852
N-(2-methyl-6-propan-2-ylphenyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 30698413
4-[3-[4-[(2S)-butan-2-yl]-5-[2-(3-chlorophenoxy)ethylsulfanyl]-1,2,4-triazol-3-yl]phenyl]sulfonylmorpholine
CID 2112964

Frequently Asked Questions

What is the IUPAC name of 4-[[6-[2-(3-methylphenoxy)ethylsulfanyl]-3-pyridinyl]sulfonyl]morpholine?
The IUPAC name of 4-[[6-[2-(3-methylphenoxy)ethylsulfanyl]-3-pyridinyl]sulfonyl]morpholine (CID 7570076) is 4-[[6-[2-(3-methylphenoxy)ethylsulfanyl]-3-pyridinyl]sulfonyl]morpholine.
What is the SMILES notation for 4-[[6-[2-(3-methylphenoxy)ethylsulfanyl]-3-pyridinyl]sulfonyl]morpholine?
The canonical SMILES for 4-[[6-[2-(3-methylphenoxy)ethylsulfanyl]-3-pyridinyl]sulfonyl]morpholine is Cc1cccc(OCCSc2ccc(S(=O)(=O)N3CCOCC3)cn2)c1.
What is the InChIKey of 4-[[6-[2-(3-methylphenoxy)ethylsulfanyl]-3-pyridinyl]sulfonyl]morpholine?
The InChIKey is WGYMTEKRQNJXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S2/c1-15-3-2-4-16(13-15)24-11-12-25-18-6-5-17(14-19-18)26(21,22)20-7-9-23-10-8-20/h2-6,13-14H,7-12H2,1H3.
What are the key properties of 4-[[6-[2-(3-methylphenoxy)ethylsulfanyl]-3-pyridinyl]sulfonyl]morpholine?
4-[[6-[2-(3-methylphenoxy)ethylsulfanyl]-3-pyridinyl]sulfonyl]morpholine has a molecular weight of 394.52 g/mol, XLogP of 2.58, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[2-(3-methylphenoxy)ethylsulfanyl]-3-pyridinyl]sulfonyl]morpholine is sourced from PubChem (CID 7570076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).