3-methyl-6-piperidin-1-ylsulfonyl-2H-indazole

C13H17N3O2S — CID 177233056

IUPAC3-methyl-6-piperidin-1-ylsulfonyl-2H-indazole
SMILESCc1[nH]nc2cc(S(=O)(=O)N3CCCCC3)ccc12
InChIInChI=1S/C13H17N3O2S/c1-10-12-6-5-11(9-13(12)15-14-10)19(17,18)16-7-3-2-4-8-16/h5-6,9H,2-4,7-8H2,1H3,(H,14,15)
InChIKeyVEGQHZMGXFFGSD-UHFFFAOYSA-N
MW279.37 g/mol
LogP2.05
Rot. Bonds2

About 3-methyl-6-piperidin-1-ylsulfonyl-2H-indazole

3-methyl-6-piperidin-1-ylsulfonyl-2H-indazole (PubChem CID 177233056) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is 3-methyl-6-piperidin-1-ylsulfonyl-2H-indazole.

Molecular Properties

Compound Name3-methyl-6-piperidin-1-ylsulfonyl-2H-indazole
PubChem CID177233056
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC Name3-methyl-6-piperidin-1-ylsulfonyl-2H-indazole
SMILESCc1[nH]nc2cc(S(=O)(=O)N3CCCCC3)ccc12
InChIInChI=1S/C13H17N3O2S/c1-10-12-6-5-11(9-13(12)15-14-10)19(17,18)16-7-3-2-4-8-16/h5-6,9H,2-4,7-8H2,1H3,(H,14,15)
InChIKeyVEGQHZMGXFFGSD-UHFFFAOYSA-N
XLogP2.05
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-6-piperidin-1-ylsulfonyl-2H-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

N-(3-methyl-2H-indazol-6-yl)piperidine-1-sulfonamide
CID 136519694
2-methyl-4-piperidin-1-ylsulfonylphenol
CID 138059728
1-(4-methylphenyl)sulfonyl-azacycloundecane
CID 12715310
1-(4-bromo-3-methylphenyl)sulfonylpyrrolidine
CID 4885054
5-(azepan-1-ylsulfonyl)-1-methylbenzimidazole
CID 110760298
2-methyl-5-pyrrolidin-1-ylsulfonyl-1,3-benzoxazole
CID 110760491
N-[4-(azepan-1-ylsulfonyl)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 2683816
6-(azepan-1-ylsulfonyl)-1H-benzimidazole
CID 110759998
(2-methyl-4-piperidin-1-ylsulfonylphenyl)methanamine
CID 106919079
1-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpyrrolidine
CID 646959
1-(3-methylsulfonylphenyl)sulfonylazepane
CID 6457455
1-(4-methyl-3-pyrrolidin-1-ylphenyl)sulfonylpiperidine
CID 168512938

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-piperidin-1-ylsulfonyl-2H-indazole?
The IUPAC name of 3-methyl-6-piperidin-1-ylsulfonyl-2H-indazole (CID 177233056) is 3-methyl-6-piperidin-1-ylsulfonyl-2H-indazole.
What is the SMILES notation for 3-methyl-6-piperidin-1-ylsulfonyl-2H-indazole?
The canonical SMILES for 3-methyl-6-piperidin-1-ylsulfonyl-2H-indazole is Cc1[nH]nc2cc(S(=O)(=O)N3CCCCC3)ccc12.
What is the InChIKey of 3-methyl-6-piperidin-1-ylsulfonyl-2H-indazole?
The InChIKey is VEGQHZMGXFFGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-10-12-6-5-11(9-13(12)15-14-10)19(17,18)16-7-3-2-4-8-16/h5-6,9H,2-4,7-8H2,1H3,(H,14,15).
What are the key properties of 3-methyl-6-piperidin-1-ylsulfonyl-2H-indazole?
3-methyl-6-piperidin-1-ylsulfonyl-2H-indazole has a molecular weight of 279.37 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-piperidin-1-ylsulfonyl-2H-indazole is sourced from PubChem (CID 177233056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).