6-ethyl-4-(1-methylsulfonylpiperidin-4-yl)-7,7a-dihydro-1H-indazole

C15H23N3O2S — CID 145076162

IUPAC6-ethyl-4-(1-methylsulfonylpiperidin-4-yl)-7,7a-dihydro-1H-indazole
SMILESCCC1=CC(C2CCN(S(C)(=O)=O)CC2)=C2C=NNC2C1
InChIInChI=1S/C15H23N3O2S/c1-3-11-8-13(14-10-16-17-15(14)9-11)12-4-6-18(7-5-12)21(2,19)20/h8,10,12,15,17H,3-7,9H2,1-2H3
InChIKeyDWGWMPGRCFYYOU-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.65
Rot. Bonds3

About 6-ethyl-4-(1-methylsulfonylpiperidin-4-yl)-7,7a-dihydro-1H-indazole

6-ethyl-4-(1-methylsulfonylpiperidin-4-yl)-7,7a-dihydro-1H-indazole (PubChem CID 145076162) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 6-ethyl-4-(1-methylsulfonylpiperidin-4-yl)-7,7a-dihydro-1H-indazole.

Molecular Properties

Compound Name6-ethyl-4-(1-methylsulfonylpiperidin-4-yl)-7,7a-dihydro-1H-indazole
PubChem CID145076162
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name6-ethyl-4-(1-methylsulfonylpiperidin-4-yl)-7,7a-dihydro-1H-indazole
SMILESCCC1=CC(C2CCN(S(C)(=O)=O)CC2)=C2C=NNC2C1
InChIInChI=1S/C15H23N3O2S/c1-3-11-8-13(14-10-16-17-15(14)9-11)12-4-6-18(7-5-12)21(2,19)20/h8,10,12,15,17H,3-7,9H2,1-2H3
InChIKeyDWGWMPGRCFYYOU-UHFFFAOYSA-N
XLogP1.65
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-ethyl-4-(1-methylsulfonylpiperidin-4-yl)-7,7a-dihydro-1H-indazole 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

ethyl 5-methyl-2-(1-methylsulfonylpiperidin-4-yl)-1H-imidazole-4-carboxylate
CID 138014077
2-benzyl-6-(1-methylsulfonylpiperidin-4-yl)pyridine
CID 95817967
2-(5-methyl-1H-pyrazol-4-yl)-6-(1-methylsulfonylpiperidin-4-yl)pyrazine
CID 110102242
4-[4-cyclopropyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-methylsulfonylpiperidine
CID 72861012
2-methyl-5-(1-methylsulfonylpiperidin-4-yl)-1,3,4-oxadiazole
CID 73439255
3-ethyl-1-methylsulfonyl-2,5-dihydropyrrole
CID 130219526
6-(4-ethoxyphenyl)-3-(1-methylsulfonylpiperidin-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 131953325
4,6-dimethyl-N-[6-(1-methylsulfonylpiperidin-4-yl)-2-pyridinyl]pyrimidin-2-amine
CID 110093805
ethyl 5-(1-methylsulfonylpiperidin-4-yl)-1,3-thiazole-4-carboxylate
CID 175729545
1-methylsulfonylpiperidine-4-thiol
CID 130490648
2-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole
CID 47320292
4-ethyl-N-(1-methylsulfonylpiperidin-4-yl)benzenesulfonamide
CID 110714982

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-(1-methylsulfonylpiperidin-4-yl)-7,7a-dihydro-1H-indazole?
The IUPAC name of 6-ethyl-4-(1-methylsulfonylpiperidin-4-yl)-7,7a-dihydro-1H-indazole (CID 145076162) is 6-ethyl-4-(1-methylsulfonylpiperidin-4-yl)-7,7a-dihydro-1H-indazole.
What is the SMILES notation for 6-ethyl-4-(1-methylsulfonylpiperidin-4-yl)-7,7a-dihydro-1H-indazole?
The canonical SMILES for 6-ethyl-4-(1-methylsulfonylpiperidin-4-yl)-7,7a-dihydro-1H-indazole is CCC1=CC(C2CCN(S(C)(=O)=O)CC2)=C2C=NNC2C1.
What is the InChIKey of 6-ethyl-4-(1-methylsulfonylpiperidin-4-yl)-7,7a-dihydro-1H-indazole?
The InChIKey is DWGWMPGRCFYYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-3-11-8-13(14-10-16-17-15(14)9-11)12-4-6-18(7-5-12)21(2,19)20/h8,10,12,15,17H,3-7,9H2,1-2H3.
What are the key properties of 6-ethyl-4-(1-methylsulfonylpiperidin-4-yl)-7,7a-dihydro-1H-indazole?
6-ethyl-4-(1-methylsulfonylpiperidin-4-yl)-7,7a-dihydro-1H-indazole has a molecular weight of 309.44 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-(1-methylsulfonylpiperidin-4-yl)-7,7a-dihydro-1H-indazole is sourced from PubChem (CID 145076162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).