7-methoxy-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole

C15H18N2O3S — CID 123359922

IUPAC7-methoxy-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
SMILESCOc1cccc2c(C3=CCN(S(C)(=O)=O)CC3)c[nH]c12
InChIInChI=1S/C15H18N2O3S/c1-20-14-5-3-4-12-13(10-16-15(12)14)11-6-8-17(9-7-11)21(2,18)19/h3-6,10,16H,7-9H2,1-2H3
InChIKeyQUPITJYJQJCRGT-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.23
Rot. Bonds3

About 7-methoxy-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole

7-methoxy-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole (PubChem CID 123359922) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 7-methoxy-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole.

Molecular Properties

Compound Name7-methoxy-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
PubChem CID123359922
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name7-methoxy-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
SMILESCOc1cccc2c(C3=CCN(S(C)(=O)=O)CC3)c[nH]c12
InChIInChI=1S/C15H18N2O3S/c1-20-14-5-3-4-12-13(10-16-15(12)14)11-6-8-17(9-7-11)21(2,18)19/h3-6,10,16H,7-9H2,1-2H3
InChIKeyQUPITJYJQJCRGT-UHFFFAOYSA-N
XLogP2.23
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
CID 84569970
1-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)anthracene-9,10-dione
CID 154697560
2-methoxy-4-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)aniline
CID 141454070
3-[1-(3-bromo-4-methoxyphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-6-fluoro-1H-indole
CID 55733538
5-fluoro-3-[1-(4-methoxyphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
CID 113086924
3-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)-7-methoxy-1H-indole
CID 168941512
3-[1-(4-tert-butylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
CID 113086699
5-(7-methoxy-1H-indol-3-yl)-1-methylpyrrole-2-carboxylic acid
CID 115110289
4-(4-fluoro-2-methoxyphenyl)-2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 90421522
5-fluoro-4-(5-fluoro-2-methoxyphenyl)-2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 90419558
3-[1-(2,4-dimethylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
CID 113086680
N,N-diethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-sulfonamide
CID 31843631

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole?
The IUPAC name of 7-methoxy-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole (CID 123359922) is 7-methoxy-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole.
What is the SMILES notation for 7-methoxy-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole?
The canonical SMILES for 7-methoxy-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole is COc1cccc2c(C3=CCN(S(C)(=O)=O)CC3)c[nH]c12.
What is the InChIKey of 7-methoxy-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole?
The InChIKey is QUPITJYJQJCRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-20-14-5-3-4-12-13(10-16-15(12)14)11-6-8-17(9-7-11)21(2,18)19/h3-6,10,16H,7-9H2,1-2H3.
What are the key properties of 7-methoxy-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole?
7-methoxy-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole has a molecular weight of 306.39 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole is sourced from PubChem (CID 123359922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).