6,7-dimethyl-3-(3-methyl-1-methylsulfonylpiperidin-4-yl)-7,7a-dihydro-1H-indole

C17H26N2O2S — CID 146409671

IUPAC6,7-dimethyl-3-(3-methyl-1-methylsulfonylpiperidin-4-yl)-7,7a-dihydro-1H-indole
SMILESCC1=CC=C2C(C3CCN(S(C)(=O)=O)CC3C)=CNC2C1C
InChIInChI=1S/C17H26N2O2S/c1-11-5-6-15-16(9-18-17(15)13(11)3)14-7-8-19(10-12(14)2)22(4,20)21/h5-6,9,12-14,17-18H,7-8,10H2,1-4H3
InChIKeyJYMMUCRABVHELL-UHFFFAOYSA-N
MW322.47 g/mol
LogP2.28
Rot. Bonds2

About 6,7-dimethyl-3-(3-methyl-1-methylsulfonylpiperidin-4-yl)-7,7a-dihydro-1H-indole

6,7-dimethyl-3-(3-methyl-1-methylsulfonylpiperidin-4-yl)-7,7a-dihydro-1H-indole (PubChem CID 146409671) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is 6,7-dimethyl-3-(3-methyl-1-methylsulfonylpiperidin-4-yl)-7,7a-dihydro-1H-indole.

Molecular Properties

Compound Name6,7-dimethyl-3-(3-methyl-1-methylsulfonylpiperidin-4-yl)-7,7a-dihydro-1H-indole
PubChem CID146409671
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC Name6,7-dimethyl-3-(3-methyl-1-methylsulfonylpiperidin-4-yl)-7,7a-dihydro-1H-indole
SMILESCC1=CC=C2C(C3CCN(S(C)(=O)=O)CC3C)=CNC2C1C
InChIInChI=1S/C17H26N2O2S/c1-11-5-6-15-16(9-18-17(15)13(11)3)14-7-8-19(10-12(14)2)22(4,20)21/h5-6,9,12-14,17-18H,7-8,10H2,1-4H3
InChIKeyJYMMUCRABVHELL-UHFFFAOYSA-N
XLogP2.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6,7-dimethyl-3-(3-methyl-1-methylsulfonylpiperidin-4-yl)-7,7a-dihydro-1H-indole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-3-(3-methyl-1-methylsulfonylpiperidin-4-yl)-7,7a-dihydro-1H-indole?
The IUPAC name of 6,7-dimethyl-3-(3-methyl-1-methylsulfonylpiperidin-4-yl)-7,7a-dihydro-1H-indole (CID 146409671) is 6,7-dimethyl-3-(3-methyl-1-methylsulfonylpiperidin-4-yl)-7,7a-dihydro-1H-indole.
What is the SMILES notation for 6,7-dimethyl-3-(3-methyl-1-methylsulfonylpiperidin-4-yl)-7,7a-dihydro-1H-indole?
The canonical SMILES for 6,7-dimethyl-3-(3-methyl-1-methylsulfonylpiperidin-4-yl)-7,7a-dihydro-1H-indole is CC1=CC=C2C(C3CCN(S(C)(=O)=O)CC3C)=CNC2C1C.
What is the InChIKey of 6,7-dimethyl-3-(3-methyl-1-methylsulfonylpiperidin-4-yl)-7,7a-dihydro-1H-indole?
The InChIKey is JYMMUCRABVHELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2S/c1-11-5-6-15-16(9-18-17(15)13(11)3)14-7-8-19(10-12(14)2)22(4,20)21/h5-6,9,12-14,17-18H,7-8,10H2,1-4H3.
What are the key properties of 6,7-dimethyl-3-(3-methyl-1-methylsulfonylpiperidin-4-yl)-7,7a-dihydro-1H-indole?
6,7-dimethyl-3-(3-methyl-1-methylsulfonylpiperidin-4-yl)-7,7a-dihydro-1H-indole has a molecular weight of 322.47 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-3-(3-methyl-1-methylsulfonylpiperidin-4-yl)-7,7a-dihydro-1H-indole is sourced from PubChem (CID 146409671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).