1-(1H-indazol-6-yl)-N-[(2-methylsulfonylphenyl)methyl]ethanamine

C17H19N3O2S — CID 167805589

IUPAC1-(1H-indazol-6-yl)-N-[(2-methylsulfonylphenyl)methyl]ethanamine
SMILESCC(NCc1ccccc1S(C)(=O)=O)c1ccc2cn[nH]c2c1
InChIInChI=1S/C17H19N3O2S/c1-12(13-7-8-14-11-19-20-16(14)9-13)18-10-15-5-3-4-6-17(15)23(2,21)22/h3-9,11-12,18H,10H2,1-2H3,(H,19,20)
InChIKeyZVHPMUWWSXIQLA-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.82
Rot. Bonds5

About 1-(1H-indazol-6-yl)-N-[(2-methylsulfonylphenyl)methyl]ethanamine

1-(1H-indazol-6-yl)-N-[(2-methylsulfonylphenyl)methyl]ethanamine (PubChem CID 167805589) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 1-(1H-indazol-6-yl)-N-[(2-methylsulfonylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(1H-indazol-6-yl)-N-[(2-methylsulfonylphenyl)methyl]ethanamine
PubChem CID167805589
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name1-(1H-indazol-6-yl)-N-[(2-methylsulfonylphenyl)methyl]ethanamine
SMILESCC(NCc1ccccc1S(C)(=O)=O)c1ccc2cn[nH]c2c1
InChIInChI=1S/C17H19N3O2S/c1-12(13-7-8-14-11-19-20-16(14)9-13)18-10-15-5-3-4-6-17(15)23(2,21)22/h3-9,11-12,18H,10H2,1-2H3,(H,19,20)
InChIKeyZVHPMUWWSXIQLA-UHFFFAOYSA-N
XLogP2.82
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1H-indazol-5-yl)-N-(quinolin-8-ylmethyl)ethanamine
CID 166194426
[(2S)-2-(1H-indazol-6-yl)-2-methylsulfonyloxyethyl] methanesulfonate
CID 170651557
2-[(1-naphthalen-2-ylethylamino)methyl]phenol
CID 115602905
methyl 2-(1H-indazol-6-yl)propanoate
CID 70809324
N-[(4-propan-2-ylphenyl)methyl]-1H-indazol-6-amine
CID 43229901
1-(4-methylphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 54893050
5-[(1S)-1-[(2-methoxyphenyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 95938822
(1R)-1-(3-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 81369930
N-(1H-indazol-6-yl)propane-2-sulfonamide
CID 25044387
N-[2-(1-naphthalen-2-ylethylamino)ethyl]methanesulfonamide
CID 43208132
N-(1H-indazol-6-ylmethyl)-3-methylbutan-2-amine
CID 115606919
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 43723810

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indazol-6-yl)-N-[(2-methylsulfonylphenyl)methyl]ethanamine?
The IUPAC name of 1-(1H-indazol-6-yl)-N-[(2-methylsulfonylphenyl)methyl]ethanamine (CID 167805589) is 1-(1H-indazol-6-yl)-N-[(2-methylsulfonylphenyl)methyl]ethanamine.
What is the SMILES notation for 1-(1H-indazol-6-yl)-N-[(2-methylsulfonylphenyl)methyl]ethanamine?
The canonical SMILES for 1-(1H-indazol-6-yl)-N-[(2-methylsulfonylphenyl)methyl]ethanamine is CC(NCc1ccccc1S(C)(=O)=O)c1ccc2cn[nH]c2c1.
What is the InChIKey of 1-(1H-indazol-6-yl)-N-[(2-methylsulfonylphenyl)methyl]ethanamine?
The InChIKey is ZVHPMUWWSXIQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-12(13-7-8-14-11-19-20-16(14)9-13)18-10-15-5-3-4-6-17(15)23(2,21)22/h3-9,11-12,18H,10H2,1-2H3,(H,19,20).
What are the key properties of 1-(1H-indazol-6-yl)-N-[(2-methylsulfonylphenyl)methyl]ethanamine?
1-(1H-indazol-6-yl)-N-[(2-methylsulfonylphenyl)methyl]ethanamine has a molecular weight of 329.43 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indazol-6-yl)-N-[(2-methylsulfonylphenyl)methyl]ethanamine is sourced from PubChem (CID 167805589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).