4-[4-(4-propan-2-ylphenyl)sulfanyl-3-pyridin-2-ylsulfonylphenyl]morpholine

C24H26N2O3S2 — CID 142945865

IUPAC4-[4-(4-propan-2-ylphenyl)sulfanyl-3-pyridin-2-ylsulfonylphenyl]morpholine
SMILESCC(C)c1ccc(Sc2ccc(N3CCOCC3)cc2S(=O)(=O)c2ccccn2)cc1
InChIInChI=1S/C24H26N2O3S2/c1-18(2)19-6-9-21(10-7-19)30-22-11-8-20(26-13-15-29-16-14-26)17-23(22)31(27,28)24-5-3-4-12-25-24/h3-12,17-18H,13-16H2,1-2H3
InChIKeyGLHRVSMAZPRUJW-UHFFFAOYSA-N
MW454.62 g/mol
LogP5.03
Rot. Bonds6

About 4-[4-(4-propan-2-ylphenyl)sulfanyl-3-pyridin-2-ylsulfonylphenyl]morpholine

4-[4-(4-propan-2-ylphenyl)sulfanyl-3-pyridin-2-ylsulfonylphenyl]morpholine (PubChem CID 142945865) has the molecular formula C24H26N2O3S2 and a molecular weight of 454.62 g/mol. Its IUPAC name is 4-[4-(4-propan-2-ylphenyl)sulfanyl-3-pyridin-2-ylsulfonylphenyl]morpholine.

Molecular Properties

Compound Name4-[4-(4-propan-2-ylphenyl)sulfanyl-3-pyridin-2-ylsulfonylphenyl]morpholine
PubChem CID142945865
Molecular FormulaC24H26N2O3S2
Molecular Weight454.62 g/mol
Exact Mass454.14
IUPAC Name4-[4-(4-propan-2-ylphenyl)sulfanyl-3-pyridin-2-ylsulfonylphenyl]morpholine
SMILESCC(C)c1ccc(Sc2ccc(N3CCOCC3)cc2S(=O)(=O)c2ccccn2)cc1
InChIInChI=1S/C24H26N2O3S2/c1-18(2)19-6-9-21(10-7-19)30-22-11-8-20(26-13-15-29-16-14-26)17-23(22)31(27,28)24-5-3-4-12-25-24/h3-12,17-18H,13-16H2,1-2H3
InChIKeyGLHRVSMAZPRUJW-UHFFFAOYSA-N
XLogP5.03
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.62
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-propan-2-ylphenyl)sulfanyl-3-pyridin-2-ylsulfonylphenyl]morpholine?
The IUPAC name of 4-[4-(4-propan-2-ylphenyl)sulfanyl-3-pyridin-2-ylsulfonylphenyl]morpholine (CID 142945865) is 4-[4-(4-propan-2-ylphenyl)sulfanyl-3-pyridin-2-ylsulfonylphenyl]morpholine.
What is the SMILES notation for 4-[4-(4-propan-2-ylphenyl)sulfanyl-3-pyridin-2-ylsulfonylphenyl]morpholine?
The canonical SMILES for 4-[4-(4-propan-2-ylphenyl)sulfanyl-3-pyridin-2-ylsulfonylphenyl]morpholine is CC(C)c1ccc(Sc2ccc(N3CCOCC3)cc2S(=O)(=O)c2ccccn2)cc1.
What is the InChIKey of 4-[4-(4-propan-2-ylphenyl)sulfanyl-3-pyridin-2-ylsulfonylphenyl]morpholine?
The InChIKey is GLHRVSMAZPRUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3S2/c1-18(2)19-6-9-21(10-7-19)30-22-11-8-20(26-13-15-29-16-14-26)17-23(22)31(27,28)24-5-3-4-12-25-24/h3-12,17-18H,13-16H2,1-2H3.
What are the key properties of 4-[4-(4-propan-2-ylphenyl)sulfanyl-3-pyridin-2-ylsulfonylphenyl]morpholine?
4-[4-(4-propan-2-ylphenyl)sulfanyl-3-pyridin-2-ylsulfonylphenyl]morpholine has a molecular weight of 454.62 g/mol, XLogP of 5.03, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-propan-2-ylphenyl)sulfanyl-3-pyridin-2-ylsulfonylphenyl]morpholine is sourced from PubChem (CID 142945865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).