4-[5-[5-(azetidin-3-yl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine

C20H22N4O3S — CID 25071531

IUPAC4-[5-[5-(azetidin-3-yl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine
SMILESO=S(=O)(c1ccc(N2CCOCC2)nc1)n1ccc2cc(C3CNC3)ccc21
InChIInChI=1S/C20H22N4O3S/c25-28(26,18-2-4-20(22-14-18)23-7-9-27-10-8-23)24-6-5-16-11-15(1-3-19(16)24)17-12-21-13-17/h1-6,11,14,17,21H,7-10,12-13H2
InChIKeyIGIURJIRNIOSKE-UHFFFAOYSA-N
MW398.49 g/mol
LogP1.80
Rot. Bonds4

About 4-[5-[5-(azetidin-3-yl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine

4-[5-[5-(azetidin-3-yl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine (PubChem CID 25071531) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is 4-[5-[5-(azetidin-3-yl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[5-[5-(azetidin-3-yl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine
PubChem CID25071531
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC Name4-[5-[5-(azetidin-3-yl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine
SMILESO=S(=O)(c1ccc(N2CCOCC2)nc1)n1ccc2cc(C3CNC3)ccc21
InChIInChI=1S/C20H22N4O3S/c25-28(26,18-2-4-20(22-14-18)23-7-9-27-10-8-23)24-6-5-16-11-15(1-3-19(16)24)17-12-21-13-17/h1-6,11,14,17,21H,7-10,12-13H2
InChIKeyIGIURJIRNIOSKE-UHFFFAOYSA-N
XLogP1.80
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

CID 23585071
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CID 25175568
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CID 25121268
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CID 59477194
CID 59477194
CID 2547568
CID 2547568
CID 134139774
CID 134139774
CID 145961279
CID 145961279
CID 134150987
CID 134150987
CID 71584285
CID 71584285
CID 23648889
CID 23648889
CID 59244961
CID 59244961

Frequently Asked Questions

What is the IUPAC name of 4-[5-[5-(azetidin-3-yl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine?
The IUPAC name of 4-[5-[5-(azetidin-3-yl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine (CID 25071531) is 4-[5-[5-(azetidin-3-yl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[5-[5-(azetidin-3-yl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine?
The canonical SMILES for 4-[5-[5-(azetidin-3-yl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine is O=S(=O)(c1ccc(N2CCOCC2)nc1)n1ccc2cc(C3CNC3)ccc21.
What is the InChIKey of 4-[5-[5-(azetidin-3-yl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine?
The InChIKey is IGIURJIRNIOSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c25-28(26,18-2-4-20(22-14-18)23-7-9-27-10-8-23)24-6-5-16-11-15(1-3-19(16)24)17-12-21-13-17/h1-6,11,14,17,21H,7-10,12-13H2.
What are the key properties of 4-[5-[5-(azetidin-3-yl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine?
4-[5-[5-(azetidin-3-yl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine has a molecular weight of 398.49 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[5-(azetidin-3-yl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine is sourced from PubChem (CID 25071531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).