1'-(4-methoxyphenyl)sulfonyl-8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]

C24H27N3O3S — CID 53058045

IUPAC1'-(4-methoxyphenyl)sulfonyl-8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
SMILESCOc1ccc(S(=O)(=O)N2CCC3(CC2)Nc2ccc(C)c(C)c2-n2cccc23)cc1
InChIInChI=1S/C24H27N3O3S/c1-17-6-11-21-23(18(17)2)27-14-4-5-22(27)24(25-21)12-15-26(16-13-24)31(28,29)20-9-7-19(30-3)8-10-20/h4-11,14,25H,12-13,15-16H2,1-3H3
InChIKeyYALSKHUHQPDSPN-UHFFFAOYSA-N
MW437.57 g/mol
LogP4.21
Rot. Bonds3

About 1'-(4-methoxyphenyl)sulfonyl-8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]

1'-(4-methoxyphenyl)sulfonyl-8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine] (PubChem CID 53058045) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is 1'-(4-methoxyphenyl)sulfonyl-8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine].

Molecular Properties

Compound Name1'-(4-methoxyphenyl)sulfonyl-8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
PubChem CID53058045
Molecular FormulaC24H27N3O3S
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC Name1'-(4-methoxyphenyl)sulfonyl-8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
SMILESCOc1ccc(S(=O)(=O)N2CCC3(CC2)Nc2ccc(C)c(C)c2-n2cccc23)cc1
InChIInChI=1S/C24H27N3O3S/c1-17-6-11-21-23(18(17)2)27-14-4-5-22(27)24(25-21)12-15-26(16-13-24)31(28,29)20-9-7-19(30-3)8-10-20/h4-11,14,25H,12-13,15-16H2,1-3H3
InChIKeyYALSKHUHQPDSPN-UHFFFAOYSA-N
XLogP4.21
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1'-(4-methoxyphenyl)sulfonyl-8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine] with MolForge

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Related Compounds

1'-(4-ethoxyphenyl)sulfonyl-8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53025795
1'-(benzenesulfonyl)-8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53058047
1'-(2,5-dimethoxyphenyl)sulfonyl-8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53058057
1'-(3,4-dichlorophenyl)sulfonyl-7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53025786
7-methoxy-1'-(2,4,6-trimethylphenyl)sulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53025757
1'-(benzenesulfonyl)-7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53025701
1'-(3,4-dimethoxyphenyl)sulfonyl-7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53025712
N-[4-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)sulfonylphenyl]propanamide
CID 53025777
1'-(2-chlorophenyl)sulfonyl-7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53025780
5-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)sulfonyl-3H-1,3-benzoxazol-2-one
CID 70814171
(8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-phenylmethanone
CID 53058186
1'-benzylsulfonyl-7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53025766

Frequently Asked Questions

What is the IUPAC name of 1'-(4-methoxyphenyl)sulfonyl-8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]?
The IUPAC name of 1'-(4-methoxyphenyl)sulfonyl-8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine] (CID 53058045) is 1'-(4-methoxyphenyl)sulfonyl-8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine].
What is the SMILES notation for 1'-(4-methoxyphenyl)sulfonyl-8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]?
The canonical SMILES for 1'-(4-methoxyphenyl)sulfonyl-8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine] is COc1ccc(S(=O)(=O)N2CCC3(CC2)Nc2ccc(C)c(C)c2-n2cccc23)cc1.
What is the InChIKey of 1'-(4-methoxyphenyl)sulfonyl-8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]?
The InChIKey is YALSKHUHQPDSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3S/c1-17-6-11-21-23(18(17)2)27-14-4-5-22(27)24(25-21)12-15-26(16-13-24)31(28,29)20-9-7-19(30-3)8-10-20/h4-11,14,25H,12-13,15-16H2,1-3H3.
What are the key properties of 1'-(4-methoxyphenyl)sulfonyl-8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]?
1'-(4-methoxyphenyl)sulfonyl-8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine] has a molecular weight of 437.57 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(4-methoxyphenyl)sulfonyl-8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine] is sourced from PubChem (CID 53058045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).