1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-(benzenesulfonyl)-2,3-dihydroindole

C22H26N2O2S — CID 11560775

IUPAC1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-(benzenesulfonyl)-2,3-dihydroindole
SMILESO=S(=O)(c1ccccc1)c1ccc2c(c1)CCN2C1CCN2CCCC2C1
InChIInChI=1S/C22H26N2O2S/c25-27(26,20-6-2-1-3-7-20)21-8-9-22-17(15-21)10-14-24(22)19-11-13-23-12-4-5-18(23)16-19/h1-3,6-9,15,18-19H,4-5,10-14,16H2
InChIKeyLKMOSEGFHKBDOH-UHFFFAOYSA-N
MW382.53 g/mol
LogP3.51
Rot. Bonds3

About 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-(benzenesulfonyl)-2,3-dihydroindole

1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-(benzenesulfonyl)-2,3-dihydroindole (PubChem CID 11560775) has the molecular formula C22H26N2O2S and a molecular weight of 382.53 g/mol. Its IUPAC name is 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-(benzenesulfonyl)-2,3-dihydroindole.

Molecular Properties

Compound Name1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-(benzenesulfonyl)-2,3-dihydroindole
PubChem CID11560775
Molecular FormulaC22H26N2O2S
Molecular Weight382.53 g/mol
Exact Mass382.17
IUPAC Name1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-(benzenesulfonyl)-2,3-dihydroindole
SMILESO=S(=O)(c1ccccc1)c1ccc2c(c1)CCN2C1CCN2CCCC2C1
InChIInChI=1S/C22H26N2O2S/c25-27(26,20-6-2-1-3-7-20)21-8-9-22-17(15-21)10-14-24(22)19-11-13-23-12-4-5-18(23)16-19/h1-3,6-9,15,18-19H,4-5,10-14,16H2
InChIKeyLKMOSEGFHKBDOH-UHFFFAOYSA-N
XLogP3.51
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-(benzenesulfonyl)-2,3-dihydroindole with MolForge

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Related Compounds

5-(3-methylphenyl)sulfonyl-1-piperidin-4-yl-2,3-dihydroindole;hydrochloride
CID 11625342
2-[(1-piperidin-4-yl-2,3-dihydroindol-5-yl)sulfonyl]benzonitrile
CID 11711146
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)benzenesulfonamide
CID 113225622
2-(benzenesulfonyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 6465871
5-(2,5-difluorophenyl)sulfonyl-1-(1-propan-2-ylpiperidin-4-yl)-2,3-dihydroindole;hydrochloride
CID 11641098
(1R)-6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 59850114
6-(benzenesulfonyl)-1-(3-methylbutyl)-1,2,3,4-tetrahydronaphthalene
CID 162148460
1-[1-[4-(benzenesulfonyl)phenyl]ethyl]-4-cyclohexylpiperazine
CID 15392110
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-piperidin-1-ylpiperidine
CID 71890474
5-(benzenesulfonyl)-1-(1-methylpiperidin-4-yl)indole
CID 11502017
2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine
CID 13380222
6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 59021826

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-(benzenesulfonyl)-2,3-dihydroindole?
The IUPAC name of 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-(benzenesulfonyl)-2,3-dihydroindole (CID 11560775) is 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-(benzenesulfonyl)-2,3-dihydroindole.
What is the SMILES notation for 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-(benzenesulfonyl)-2,3-dihydroindole?
The canonical SMILES for 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-(benzenesulfonyl)-2,3-dihydroindole is O=S(=O)(c1ccccc1)c1ccc2c(c1)CCN2C1CCN2CCCC2C1.
What is the InChIKey of 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-(benzenesulfonyl)-2,3-dihydroindole?
The InChIKey is LKMOSEGFHKBDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2S/c25-27(26,20-6-2-1-3-7-20)21-8-9-22-17(15-21)10-14-24(22)19-11-13-23-12-4-5-18(23)16-19/h1-3,6-9,15,18-19H,4-5,10-14,16H2.
What are the key properties of 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-(benzenesulfonyl)-2,3-dihydroindole?
1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-(benzenesulfonyl)-2,3-dihydroindole has a molecular weight of 382.53 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-(benzenesulfonyl)-2,3-dihydroindole is sourced from PubChem (CID 11560775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).