7-methyl-1'-methylsulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]

C17H21N3O2S — CID 53025698

IUPAC7-methyl-1'-methylsulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
SMILESCc1ccc2c(c1)NC1(CCN(S(C)(=O)=O)CC1)c1cccn1-2
InChIInChI=1S/C17H21N3O2S/c1-13-5-6-15-14(12-13)18-17(16-4-3-9-20(15)16)7-10-19(11-8-17)23(2,21)22/h3-6,9,12,18H,7-8,10-11H2,1-2H3
InChIKeyHUOVSONCTXZGQR-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.46
Rot. Bonds1

About 7-methyl-1'-methylsulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]

7-methyl-1'-methylsulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine] (PubChem CID 53025698) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 7-methyl-1'-methylsulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine].

Molecular Properties

Compound Name7-methyl-1'-methylsulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
PubChem CID53025698
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name7-methyl-1'-methylsulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
SMILESCc1ccc2c(c1)NC1(CCN(S(C)(=O)=O)CC1)c1cccn1-2
InChIInChI=1S/C17H21N3O2S/c1-13-5-6-15-14(12-13)18-17(16-4-3-9-20(15)16)7-10-19(11-8-17)23(2,21)22/h3-6,9,12,18H,7-8,10-11H2,1-2H3
InChIKeyHUOVSONCTXZGQR-UHFFFAOYSA-N
XLogP2.46
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
1'-(5-chloro-2-methoxyphenyl)sulfonyl-7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53025716
7-methoxy-1'-(2,4,6-trimethylphenyl)sulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53025757
(2-bromophenyl)-(7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
CID 53025836
(2-methoxyphenyl)-(7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
CID 53058091
1'-(2-chlorophenyl)sulfonyl-7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53025780
(7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 53025842
1'-(3,4-dichlorophenyl)sulfonyl-7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53025786
1'-benzylsulfonyl-7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53025766
1'-(3,4-dichlorophenyl)sulfonyl-7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53025753
7-fluoro-1'-naphthalen-2-ylsulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53025734

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1'-methylsulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]?
The IUPAC name of 7-methyl-1'-methylsulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine] (CID 53025698) is 7-methyl-1'-methylsulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine].
What is the SMILES notation for 7-methyl-1'-methylsulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]?
The canonical SMILES for 7-methyl-1'-methylsulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine] is Cc1ccc2c(c1)NC1(CCN(S(C)(=O)=O)CC1)c1cccn1-2.
What is the InChIKey of 7-methyl-1'-methylsulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]?
The InChIKey is HUOVSONCTXZGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-13-5-6-15-14(12-13)18-17(16-4-3-9-20(15)16)7-10-19(11-8-17)23(2,21)22/h3-6,9,12,18H,7-8,10-11H2,1-2H3.
What are the key properties of 7-methyl-1'-methylsulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]?
7-methyl-1'-methylsulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine] has a molecular weight of 331.44 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1'-methylsulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine] is sourced from PubChem (CID 53025698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).