5'-ethyl-7'-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)spiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]

C28H33N3O2S — CID 52998520

IUPAC5'-ethyl-7'-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)spiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]
SMILESCCN1c2cc(C)ccc2-n2cccc2C12CCN(S(=O)(=O)c1ccc3c(c1)CCCC3)CC2
InChIInChI=1S/C28H33N3O2S/c1-3-31-26-19-21(2)10-13-25(26)30-16-6-9-27(30)28(31)14-17-29(18-15-28)34(32,33)24-12-11-22-7-4-5-8-23(22)20-24/h6,9-13,16,19-20H,3-5,7-8,14-15,17-18H2,1-2H3
InChIKeyPRKNXYWNCQPTHC-UHFFFAOYSA-N
MW475.66 g/mol
LogP5.18
Rot. Bonds3

About 5'-ethyl-7'-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)spiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]

5'-ethyl-7'-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)spiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline] (PubChem CID 52998520) has the molecular formula C28H33N3O2S and a molecular weight of 475.66 g/mol. Its IUPAC name is 5'-ethyl-7'-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)spiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline].

Molecular Properties

Compound Name5'-ethyl-7'-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)spiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]
PubChem CID52998520
Molecular FormulaC28H33N3O2S
Molecular Weight475.66 g/mol
Exact Mass475.23
IUPAC Name5'-ethyl-7'-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)spiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]
SMILESCCN1c2cc(C)ccc2-n2cccc2C12CCN(S(=O)(=O)c1ccc3c(c1)CCCC3)CC2
InChIInChI=1S/C28H33N3O2S/c1-3-31-26-19-21(2)10-13-25(26)30-16-6-9-27(30)28(31)14-17-29(18-15-28)34(32,33)24-12-11-22-7-4-5-8-23(22)20-24/h6,9-13,16,19-20H,3-5,7-8,14-15,17-18H2,1-2H3
InChIKeyPRKNXYWNCQPTHC-UHFFFAOYSA-N
XLogP5.18
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.66
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5'-ethyl-7'-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)spiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline] with MolForge

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Related Compounds

7-fluoro-1'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53005060
1'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-ethylspiro[indole-3,4'-piperidine]-2-one
CID 91904611
1-[(3-methylphenyl)methyl]-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine
CID 113073961
1'-(benzenesulfonyl)-7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53025701
1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 110365789
1'-(3,4-dimethoxyphenyl)sulfonyl-7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53025712
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methylpiperazine
CID 32737600
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3-methylpyrrolidin-3-ol
CID 103871391
1-[(2-methylphenyl)methyl]-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine
CID 113073947
ethyl 4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1,4-diazepane-1-carboxylate
CID 110799195
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-[(3S)-3-ethyl-1-methylsulfonylpyrrolidin-3-yl]piperazine
CID 129369354
[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methanamine
CID 28706848

Frequently Asked Questions

What is the IUPAC name of 5'-ethyl-7'-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)spiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]?
The IUPAC name of 5'-ethyl-7'-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)spiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline] (CID 52998520) is 5'-ethyl-7'-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)spiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline].
What is the SMILES notation for 5'-ethyl-7'-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)spiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]?
The canonical SMILES for 5'-ethyl-7'-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)spiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline] is CCN1c2cc(C)ccc2-n2cccc2C12CCN(S(=O)(=O)c1ccc3c(c1)CCCC3)CC2.
What is the InChIKey of 5'-ethyl-7'-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)spiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]?
The InChIKey is PRKNXYWNCQPTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O2S/c1-3-31-26-19-21(2)10-13-25(26)30-16-6-9-27(30)28(31)14-17-29(18-15-28)34(32,33)24-12-11-22-7-4-5-8-23(22)20-24/h6,9-13,16,19-20H,3-5,7-8,14-15,17-18H2,1-2H3.
What are the key properties of 5'-ethyl-7'-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)spiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]?
5'-ethyl-7'-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)spiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline] has a molecular weight of 475.66 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-ethyl-7'-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)spiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline] is sourced from PubChem (CID 52998520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).