8-methyl-2-(5-methyl-2-methylsulfonylphenyl)indolizine-3-carbaldehyde

C18H17NO3S — CID 3691812

IUPAC8-methyl-2-(5-methyl-2-methylsulfonylphenyl)indolizine-3-carbaldehyde
SMILESCc1ccc(S(C)(=O)=O)c(-c2cc3c(C)cccn3c2C=O)c1
InChIInChI=1S/C18H17NO3S/c1-12-6-7-18(23(3,21)22)15(9-12)14-10-16-13(2)5-4-8-19(16)17(14)11-20/h4-11H,1-3H3
InChIKeyPQGOCUUAIWSCQS-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.44
Rot. Bonds3

About 8-methyl-2-(5-methyl-2-methylsulfonylphenyl)indolizine-3-carbaldehyde

8-methyl-2-(5-methyl-2-methylsulfonylphenyl)indolizine-3-carbaldehyde (PubChem CID 3691812) has the molecular formula C18H17NO3S and a molecular weight of 327.41 g/mol. Its IUPAC name is 8-methyl-2-(5-methyl-2-methylsulfonylphenyl)indolizine-3-carbaldehyde.

Molecular Properties

Compound Name8-methyl-2-(5-methyl-2-methylsulfonylphenyl)indolizine-3-carbaldehyde
PubChem CID3691812
Molecular FormulaC18H17NO3S
Molecular Weight327.41 g/mol
Exact Mass327.09
IUPAC Name8-methyl-2-(5-methyl-2-methylsulfonylphenyl)indolizine-3-carbaldehyde
SMILESCc1ccc(S(C)(=O)=O)c(-c2cc3c(C)cccn3c2C=O)c1
InChIInChI=1S/C18H17NO3S/c1-12-6-7-18(23(3,21)22)15(9-12)14-10-16-13(2)5-4-8-19(16)17(14)11-20/h4-11H,1-3H3
InChIKeyPQGOCUUAIWSCQS-UHFFFAOYSA-N
XLogP3.44
TPSA55.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

8-methyl-2-(2,4,6-trimethylphenyl)indolizine-3-carbaldehyde
CID 3451142
2-(2,5-dimethylthiophen-3-yl)-8-methylindolizine-3-carbaldehyde
CID 3613512
2-(4-tert-butylphenyl)-8-methylindolizine-3-carbaldehyde
CID 3836029
2-(4-fluorophenyl)-8-methylindolizine-3-carbaldehyde
CID 3552647
2-(4-chlorophenyl)-8-methylindolizine-3-carbaldehyde
CID 3403096
2-(4-methoxynaphthalen-1-yl)-8-methylindolizine-3-carbaldehyde
CID 3805664
2-(2-ethoxy-5-propan-2-ylphenyl)-8-methylindolizine-3-carbaldehyde
CID 3590474
2-(3,5-dimethyl-4-phenylmethoxyphenyl)-8-methylindolizine-3-carbaldehyde
CID 3796993
2-(5-butan-2-yl-2-phenylmethoxyphenyl)-8-methylindolizine-3-carbaldehyde
CID 3719157
2-(3-butan-2-yl-4-ethoxyphenyl)-8-methylindolizine-3-carbaldehyde
CID 5195486
2-(2-benzylsulfanyl-5-chlorophenyl)-8-methylindolizine-3-carbaldehyde
CID 3734049
7-methyl-2-(2,4,5-trimethylphenyl)indolizine-3-carbaldehyde
CID 3761095

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-(5-methyl-2-methylsulfonylphenyl)indolizine-3-carbaldehyde?
The IUPAC name of 8-methyl-2-(5-methyl-2-methylsulfonylphenyl)indolizine-3-carbaldehyde (CID 3691812) is 8-methyl-2-(5-methyl-2-methylsulfonylphenyl)indolizine-3-carbaldehyde.
What is the SMILES notation for 8-methyl-2-(5-methyl-2-methylsulfonylphenyl)indolizine-3-carbaldehyde?
The canonical SMILES for 8-methyl-2-(5-methyl-2-methylsulfonylphenyl)indolizine-3-carbaldehyde is Cc1ccc(S(C)(=O)=O)c(-c2cc3c(C)cccn3c2C=O)c1.
What is the InChIKey of 8-methyl-2-(5-methyl-2-methylsulfonylphenyl)indolizine-3-carbaldehyde?
The InChIKey is PQGOCUUAIWSCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3S/c1-12-6-7-18(23(3,21)22)15(9-12)14-10-16-13(2)5-4-8-19(16)17(14)11-20/h4-11H,1-3H3.
What are the key properties of 8-methyl-2-(5-methyl-2-methylsulfonylphenyl)indolizine-3-carbaldehyde?
8-methyl-2-(5-methyl-2-methylsulfonylphenyl)indolizine-3-carbaldehyde has a molecular weight of 327.41 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-(5-methyl-2-methylsulfonylphenyl)indolizine-3-carbaldehyde is sourced from PubChem (CID 3691812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).