4-[[6-[(4-propan-2-ylphenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine

C19H24N2O3S2 — CID 7570114

IUPAC4-[[6-[(4-propan-2-ylphenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine
SMILESCC(C)c1ccc(CSc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1
InChIInChI=1S/C19H24N2O3S2/c1-15(2)17-5-3-16(4-6-17)14-25-19-8-7-18(13-20-19)26(22,23)21-9-11-24-12-10-21/h3-8,13,15H,9-12,14H2,1-2H3
InChIKeyOQUOHIQETPYXDW-UHFFFAOYSA-N
MW392.55 g/mol
LogP3.52
Rot. Bonds6

About 4-[[6-[(4-propan-2-ylphenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine

4-[[6-[(4-propan-2-ylphenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine (PubChem CID 7570114) has the molecular formula C19H24N2O3S2 and a molecular weight of 392.55 g/mol. Its IUPAC name is 4-[[6-[(4-propan-2-ylphenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine.

Molecular Properties

Compound Name4-[[6-[(4-propan-2-ylphenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine
PubChem CID7570114
Molecular FormulaC19H24N2O3S2
Molecular Weight392.55 g/mol
Exact Mass392.12
IUPAC Name4-[[6-[(4-propan-2-ylphenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine
SMILESCC(C)c1ccc(CSc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1
InChIInChI=1S/C19H24N2O3S2/c1-15(2)17-5-3-16(4-6-17)14-25-19-8-7-18(13-20-19)26(22,23)21-9-11-24-12-10-21/h3-8,13,15H,9-12,14H2,1-2H3
InChIKeyOQUOHIQETPYXDW-UHFFFAOYSA-N
XLogP3.52
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-[(4-propan-2-ylphenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine?
The IUPAC name of 4-[[6-[(4-propan-2-ylphenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine (CID 7570114) is 4-[[6-[(4-propan-2-ylphenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine.
What is the SMILES notation for 4-[[6-[(4-propan-2-ylphenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine?
The canonical SMILES for 4-[[6-[(4-propan-2-ylphenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine is CC(C)c1ccc(CSc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1.
What is the InChIKey of 4-[[6-[(4-propan-2-ylphenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine?
The InChIKey is OQUOHIQETPYXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S2/c1-15(2)17-5-3-16(4-6-17)14-25-19-8-7-18(13-20-19)26(22,23)21-9-11-24-12-10-21/h3-8,13,15H,9-12,14H2,1-2H3.
What are the key properties of 4-[[6-[(4-propan-2-ylphenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine?
4-[[6-[(4-propan-2-ylphenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine has a molecular weight of 392.55 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[(4-propan-2-ylphenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine is sourced from PubChem (CID 7570114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).