1-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone

C14H18N2O4S — CID 866906

IUPAC1-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone
SMILESCC(=O)N1CCc2cc(S(=O)(=O)N3CCOCC3)ccc21
InChIInChI=1S/C14H18N2O4S/c1-11(17)16-5-4-12-10-13(2-3-14(12)16)21(18,19)15-6-8-20-9-7-15/h2-3,10H,4-9H2,1H3
InChIKeyFWGQESFVKBMFFG-UHFFFAOYSA-N
MW310.38 g/mol
LogP0.62
Rot. Bonds2

About 1-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone

1-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone (PubChem CID 866906) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is 1-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name1-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone
PubChem CID866906
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC Name1-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone
SMILESCC(=O)N1CCc2cc(S(=O)(=O)N3CCOCC3)ccc21
InChIInChI=1S/C14H18N2O4S/c1-11(17)16-5-4-12-10-13(2-3-14(12)16)21(18,19)15-6-8-20-9-7-15/h2-3,10H,4-9H2,1H3
InChIKeyFWGQESFVKBMFFG-UHFFFAOYSA-N
XLogP0.62
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 1-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone (CID 866906) is 1-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 1-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 1-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone is CC(=O)N1CCc2cc(S(=O)(=O)N3CCOCC3)ccc21.
What is the InChIKey of 1-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone?
The InChIKey is FWGQESFVKBMFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c1-11(17)16-5-4-12-10-13(2-3-14(12)16)21(18,19)15-6-8-20-9-7-15/h2-3,10H,4-9H2,1H3.
What are the key properties of 1-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone?
1-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone has a molecular weight of 310.38 g/mol, XLogP of 0.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 866906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).