4-[[6-[(4-methylphenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine

C17H20N2O3S2 — CID 7774857

IUPAC4-[[6-[(4-methylphenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine
SMILESCc1ccc(CSc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1
InChIInChI=1S/C17H20N2O3S2/c1-14-2-4-15(5-3-14)13-23-17-7-6-16(12-18-17)24(20,21)19-8-10-22-11-9-19/h2-7,12H,8-11,13H2,1H3
InChIKeyUPYLQZRUKAGBBD-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.70
Rot. Bonds5

About 4-[[6-[(4-methylphenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine

4-[[6-[(4-methylphenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine (PubChem CID 7774857) has the molecular formula C17H20N2O3S2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 4-[[6-[(4-methylphenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine.

Molecular Properties

Compound Name4-[[6-[(4-methylphenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine
PubChem CID7774857
Molecular FormulaC17H20N2O3S2
Molecular Weight364.49 g/mol
Exact Mass364.09
IUPAC Name4-[[6-[(4-methylphenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine
SMILESCc1ccc(CSc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1
InChIInChI=1S/C17H20N2O3S2/c1-14-2-4-15(5-3-14)13-23-17-7-6-16(12-18-17)24(20,21)19-8-10-22-11-9-19/h2-7,12H,8-11,13H2,1H3
InChIKeyUPYLQZRUKAGBBD-UHFFFAOYSA-N
XLogP2.70
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-[(4-methylphenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine?
The IUPAC name of 4-[[6-[(4-methylphenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine (CID 7774857) is 4-[[6-[(4-methylphenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine.
What is the SMILES notation for 4-[[6-[(4-methylphenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine?
The canonical SMILES for 4-[[6-[(4-methylphenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine is Cc1ccc(CSc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1.
What is the InChIKey of 4-[[6-[(4-methylphenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine?
The InChIKey is UPYLQZRUKAGBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S2/c1-14-2-4-15(5-3-14)13-23-17-7-6-16(12-18-17)24(20,21)19-8-10-22-11-9-19/h2-7,12H,8-11,13H2,1H3.
What are the key properties of 4-[[6-[(4-methylphenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine?
4-[[6-[(4-methylphenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine has a molecular weight of 364.49 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[(4-methylphenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine is sourced from PubChem (CID 7774857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).