1-methyl-3-[4-(4-methylsulfonylphenyl)-1,2,3,6-tetrahydropyridin-2-yl]-2,3,4,9-tetrahydro-1H-carbazole

C25H28N2O2S — CID 70508919

IUPAC1-methyl-3-[4-(4-methylsulfonylphenyl)-1,2,3,6-tetrahydropyridin-2-yl]-2,3,4,9-tetrahydro-1H-carbazole
SMILESCC1CC(C2CC(c3ccc(S(C)(=O)=O)cc3)=CCN2)Cc2c1[nH]c1ccccc21
InChIInChI=1S/C25H28N2O2S/c1-16-13-19(14-22-21-5-3-4-6-23(21)27-25(16)22)24-15-18(11-12-26-24)17-7-9-20(10-8-17)30(2,28)29/h3-11,16,19,24,26-27H,12-15H2,1-2H3
InChIKeyGGJFEPDPBHKTPU-UHFFFAOYSA-N
MW420.58 g/mol
LogP4.68
Rot. Bonds3

About 1-methyl-3-[4-(4-methylsulfonylphenyl)-1,2,3,6-tetrahydropyridin-2-yl]-2,3,4,9-tetrahydro-1H-carbazole

1-methyl-3-[4-(4-methylsulfonylphenyl)-1,2,3,6-tetrahydropyridin-2-yl]-2,3,4,9-tetrahydro-1H-carbazole (PubChem CID 70508919) has the molecular formula C25H28N2O2S and a molecular weight of 420.58 g/mol. Its IUPAC name is 1-methyl-3-[4-(4-methylsulfonylphenyl)-1,2,3,6-tetrahydropyridin-2-yl]-2,3,4,9-tetrahydro-1H-carbazole.

Molecular Properties

Compound Name1-methyl-3-[4-(4-methylsulfonylphenyl)-1,2,3,6-tetrahydropyridin-2-yl]-2,3,4,9-tetrahydro-1H-carbazole
PubChem CID70508919
Molecular FormulaC25H28N2O2S
Molecular Weight420.58 g/mol
Exact Mass420.19
IUPAC Name1-methyl-3-[4-(4-methylsulfonylphenyl)-1,2,3,6-tetrahydropyridin-2-yl]-2,3,4,9-tetrahydro-1H-carbazole
SMILESCC1CC(C2CC(c3ccc(S(C)(=O)=O)cc3)=CCN2)Cc2c1[nH]c1ccccc21
InChIInChI=1S/C25H28N2O2S/c1-16-13-19(14-22-21-5-3-4-6-23(21)27-25(16)22)24-15-18(11-12-26-24)17-7-9-20(10-8-17)30(2,28)29/h3-11,16,19,24,26-27H,12-15H2,1-2H3
InChIKeyGGJFEPDPBHKTPU-UHFFFAOYSA-N
XLogP4.68
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.58
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(3-methoxyphenyl)-1,2,3,6-tetrahydropyridin-2-yl]-1-methyl-2,3,4,9-tetrahydro-1H-carbazole
CID 70508537
7-fluoro-1-methyl-3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)-2,3,4,9-tetrahydro-1H-carbazole
CID 70508145
(1S)-1-methyl-2-(4-methylphenyl)sulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 95988361
(1R,3R)-1,3-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 670862
3-(4-methylsulfonylphenyl)-1H-indazole
CID 72895811
1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carbaldehyde
CID 174709494
1-methyl-2-(2-methylsulfonylethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 47287679
2-(4-methylsulfonylphenyl)-3-pyrimidin-5-yl-1H-indole
CID 70341361
(3S)-1-[4-(4-ethylsulfonylpiperazin-1-yl)phenyl]-3-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 139431916
1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride
CID 6419924
2-methyl-3-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
CID 20867201
(1S,3S)-2-acetyl-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate
CID 6968378

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-(4-methylsulfonylphenyl)-1,2,3,6-tetrahydropyridin-2-yl]-2,3,4,9-tetrahydro-1H-carbazole?
The IUPAC name of 1-methyl-3-[4-(4-methylsulfonylphenyl)-1,2,3,6-tetrahydropyridin-2-yl]-2,3,4,9-tetrahydro-1H-carbazole (CID 70508919) is 1-methyl-3-[4-(4-methylsulfonylphenyl)-1,2,3,6-tetrahydropyridin-2-yl]-2,3,4,9-tetrahydro-1H-carbazole.
What is the SMILES notation for 1-methyl-3-[4-(4-methylsulfonylphenyl)-1,2,3,6-tetrahydropyridin-2-yl]-2,3,4,9-tetrahydro-1H-carbazole?
The canonical SMILES for 1-methyl-3-[4-(4-methylsulfonylphenyl)-1,2,3,6-tetrahydropyridin-2-yl]-2,3,4,9-tetrahydro-1H-carbazole is CC1CC(C2CC(c3ccc(S(C)(=O)=O)cc3)=CCN2)Cc2c1[nH]c1ccccc21.
What is the InChIKey of 1-methyl-3-[4-(4-methylsulfonylphenyl)-1,2,3,6-tetrahydropyridin-2-yl]-2,3,4,9-tetrahydro-1H-carbazole?
The InChIKey is GGJFEPDPBHKTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2S/c1-16-13-19(14-22-21-5-3-4-6-23(21)27-25(16)22)24-15-18(11-12-26-24)17-7-9-20(10-8-17)30(2,28)29/h3-11,16,19,24,26-27H,12-15H2,1-2H3.
What are the key properties of 1-methyl-3-[4-(4-methylsulfonylphenyl)-1,2,3,6-tetrahydropyridin-2-yl]-2,3,4,9-tetrahydro-1H-carbazole?
1-methyl-3-[4-(4-methylsulfonylphenyl)-1,2,3,6-tetrahydropyridin-2-yl]-2,3,4,9-tetrahydro-1H-carbazole has a molecular weight of 420.58 g/mol, XLogP of 4.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-(4-methylsulfonylphenyl)-1,2,3,6-tetrahydropyridin-2-yl]-2,3,4,9-tetrahydro-1H-carbazole is sourced from PubChem (CID 70508919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).