5-methylsulfonyl-2-[7-(4-methylthiophen-2-yl)spiro[3.4]octa-5,7-dien-6-yl]pyridine

C19H19NO2S2 — CID 67779101

IUPAC5-methylsulfonyl-2-[7-(4-methylthiophen-2-yl)spiro[3.4]octa-5,7-dien-6-yl]pyridine
SMILESCc1csc(C2=CC3(C=C2c2ccc(S(C)(=O)=O)cn2)CCC3)c1
InChIInChI=1S/C19H19NO2S2/c1-13-8-18(23-12-13)16-10-19(6-3-7-19)9-15(16)17-5-4-14(11-20-17)24(2,21)22/h4-5,8-12H,3,6-7H2,1-2H3
InChIKeySUFIMEPXTNJHIC-UHFFFAOYSA-N
MW357.50 g/mol
LogP4.51
Rot. Bonds3

About 5-methylsulfonyl-2-[7-(4-methylthiophen-2-yl)spiro[3.4]octa-5,7-dien-6-yl]pyridine

5-methylsulfonyl-2-[7-(4-methylthiophen-2-yl)spiro[3.4]octa-5,7-dien-6-yl]pyridine (PubChem CID 67779101) has the molecular formula C19H19NO2S2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 5-methylsulfonyl-2-[7-(4-methylthiophen-2-yl)spiro[3.4]octa-5,7-dien-6-yl]pyridine.

Molecular Properties

Compound Name5-methylsulfonyl-2-[7-(4-methylthiophen-2-yl)spiro[3.4]octa-5,7-dien-6-yl]pyridine
PubChem CID67779101
Molecular FormulaC19H19NO2S2
Molecular Weight357.50 g/mol
Exact Mass357.09
IUPAC Name5-methylsulfonyl-2-[7-(4-methylthiophen-2-yl)spiro[3.4]octa-5,7-dien-6-yl]pyridine
SMILESCc1csc(C2=CC3(C=C2c2ccc(S(C)(=O)=O)cn2)CCC3)c1
InChIInChI=1S/C19H19NO2S2/c1-13-8-18(23-12-13)16-10-19(6-3-7-19)9-15(16)17-5-4-14(11-20-17)24(2,21)22/h4-5,8-12H,3,6-7H2,1-2H3
InChIKeySUFIMEPXTNJHIC-UHFFFAOYSA-N
XLogP4.51
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-methylsulfonyl-2-[7-(4-methylthiophen-2-yl)spiro[3.4]octa-5,7-dien-6-yl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-2-[2-(4-methylsulfonylphenyl)spiro[4.4]nona-1,3-dien-3-yl]pyridine
CID 22907575
2-[6-(4-methylsulfanylphenyl)spiro[3.4]octa-5,7-dien-7-yl]-5-methylsulfonylpyridine
CID 22907562
6-[6-(4-methylsulfanylphenyl)spiro[3.4]octa-5,7-dien-7-yl]pyridine-3-sulfonamide
CID 22907342
4-[7-(5-chloro-2-pyridinyl)spiro[3.4]octa-5,7-dien-6-yl]benzenesulfonamide
CID 22907459
2-[3,3-difluoro-5-(4-fluorophenyl)cyclopenta-1,4-dien-1-yl]-5-methylsulfonylpyridine
CID 23370662
4-[5-(4-methylsulfonylphenyl)spiro[2.4]hepta-4,6-dien-6-yl]pyridine
CID 22907457
6-(3,4-dimethylphenyl)-5-(4-methylsulfonylphenyl)spiro[2.4]hepta-4,6-diene
CID 22907400
CID 87174460
CID 87174460
2-methylsulfanyl-5-[5-(4-methylsulfonylphenyl)spiro[2.4]hepta-4,6-dien-6-yl]pyridine
CID 22907473
dimethyl 3-(4-fluorophenyl)-4-(5-methylsulfonyl-2-pyridinyl)cyclopenta-2,4-diene-1,1-dicarboxylate
CID 23370409
5-[4-(methoxymethyl)phenyl]-6-(4-methylsulfonylphenyl)spiro[2.4]hepta-4,6-diene
CID 22909325
4-[7-(6-chloro-3-pyridinyl)spiro[3.4]octa-5,7-dien-6-yl]benzenesulfonamide
CID 22907647

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfonyl-2-[7-(4-methylthiophen-2-yl)spiro[3.4]octa-5,7-dien-6-yl]pyridine?
The IUPAC name of 5-methylsulfonyl-2-[7-(4-methylthiophen-2-yl)spiro[3.4]octa-5,7-dien-6-yl]pyridine (CID 67779101) is 5-methylsulfonyl-2-[7-(4-methylthiophen-2-yl)spiro[3.4]octa-5,7-dien-6-yl]pyridine.
What is the SMILES notation for 5-methylsulfonyl-2-[7-(4-methylthiophen-2-yl)spiro[3.4]octa-5,7-dien-6-yl]pyridine?
The canonical SMILES for 5-methylsulfonyl-2-[7-(4-methylthiophen-2-yl)spiro[3.4]octa-5,7-dien-6-yl]pyridine is Cc1csc(C2=CC3(C=C2c2ccc(S(C)(=O)=O)cn2)CCC3)c1.
What is the InChIKey of 5-methylsulfonyl-2-[7-(4-methylthiophen-2-yl)spiro[3.4]octa-5,7-dien-6-yl]pyridine?
The InChIKey is SUFIMEPXTNJHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2S2/c1-13-8-18(23-12-13)16-10-19(6-3-7-19)9-15(16)17-5-4-14(11-20-17)24(2,21)22/h4-5,8-12H,3,6-7H2,1-2H3.
What are the key properties of 5-methylsulfonyl-2-[7-(4-methylthiophen-2-yl)spiro[3.4]octa-5,7-dien-6-yl]pyridine?
5-methylsulfonyl-2-[7-(4-methylthiophen-2-yl)spiro[3.4]octa-5,7-dien-6-yl]pyridine has a molecular weight of 357.50 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfonyl-2-[7-(4-methylthiophen-2-yl)spiro[3.4]octa-5,7-dien-6-yl]pyridine is sourced from PubChem (CID 67779101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).