[5-(1-methylindol-2-yl)-3-pyridinyl] morpholine-4-sulfonate

C18H19N3O4S — CID 58215570

IUPAC[5-(1-methylindol-2-yl)-3-pyridinyl] morpholine-4-sulfonate
SMILESCn1c(-c2cncc(OS(=O)(=O)N3CCOCC3)c2)cc2ccccc21
InChIInChI=1S/C18H19N3O4S/c1-20-17-5-3-2-4-14(17)11-18(20)15-10-16(13-19-12-15)25-26(22,23)21-6-8-24-9-7-21/h2-5,10-13H,6-9H2,1H3
InChIKeyVNYFFUZIDORNOR-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.20
Rot. Bonds4

About [5-(1-methylindol-2-yl)-3-pyridinyl] morpholine-4-sulfonate

[5-(1-methylindol-2-yl)-3-pyridinyl] morpholine-4-sulfonate (PubChem CID 58215570) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is [5-(1-methylindol-2-yl)-3-pyridinyl] morpholine-4-sulfonate.

Molecular Properties

Compound Name[5-(1-methylindol-2-yl)-3-pyridinyl] morpholine-4-sulfonate
PubChem CID58215570
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Name[5-(1-methylindol-2-yl)-3-pyridinyl] morpholine-4-sulfonate
SMILESCn1c(-c2cncc(OS(=O)(=O)N3CCOCC3)c2)cc2ccccc21
InChIInChI=1S/C18H19N3O4S/c1-20-17-5-3-2-4-14(17)11-18(20)15-10-16(13-19-12-15)25-26(22,23)21-6-8-24-9-7-21/h2-5,10-13H,6-9H2,1H3
InChIKeyVNYFFUZIDORNOR-UHFFFAOYSA-N
XLogP2.20
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(1-methylindol-2-yl)-3-pyridinyl] morpholine-4-sulfonate?
The IUPAC name of [5-(1-methylindol-2-yl)-3-pyridinyl] morpholine-4-sulfonate (CID 58215570) is [5-(1-methylindol-2-yl)-3-pyridinyl] morpholine-4-sulfonate.
What is the SMILES notation for [5-(1-methylindol-2-yl)-3-pyridinyl] morpholine-4-sulfonate?
The canonical SMILES for [5-(1-methylindol-2-yl)-3-pyridinyl] morpholine-4-sulfonate is Cn1c(-c2cncc(OS(=O)(=O)N3CCOCC3)c2)cc2ccccc21.
What is the InChIKey of [5-(1-methylindol-2-yl)-3-pyridinyl] morpholine-4-sulfonate?
The InChIKey is VNYFFUZIDORNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-20-17-5-3-2-4-14(17)11-18(20)15-10-16(13-19-12-15)25-26(22,23)21-6-8-24-9-7-21/h2-5,10-13H,6-9H2,1H3.
What are the key properties of [5-(1-methylindol-2-yl)-3-pyridinyl] morpholine-4-sulfonate?
[5-(1-methylindol-2-yl)-3-pyridinyl] morpholine-4-sulfonate has a molecular weight of 373.43 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-methylindol-2-yl)-3-pyridinyl] morpholine-4-sulfonate is sourced from PubChem (CID 58215570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).