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

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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).