N-methyl-1-[1-(2-propylsulfonylethyl)indazol-3-yl]methanamine

C14H21N3O2S — CID 106731962

IUPACN-methyl-1-[1-(2-propylsulfonylethyl)indazol-3-yl]methanamine
SMILESCCCS(=O)(=O)CCn1nc(CNC)c2ccccc21
InChIInChI=1S/C14H21N3O2S/c1-3-9-20(18,19)10-8-17-14-7-5-4-6-12(14)13(16-17)11-15-2/h4-7,15H,3,8-11H2,1-2H3
InChIKeyZNHXRCFXYNUNCH-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.58
Rot. Bonds7

About N-methyl-1-[1-(2-propylsulfonylethyl)indazol-3-yl]methanamine

N-methyl-1-[1-(2-propylsulfonylethyl)indazol-3-yl]methanamine (PubChem CID 106731962) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is N-methyl-1-[1-(2-propylsulfonylethyl)indazol-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(2-propylsulfonylethyl)indazol-3-yl]methanamine
PubChem CID106731962
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC NameN-methyl-1-[1-(2-propylsulfonylethyl)indazol-3-yl]methanamine
SMILESCCCS(=O)(=O)CCn1nc(CNC)c2ccccc21
InChIInChI=1S/C14H21N3O2S/c1-3-9-20(18,19)10-8-17-14-7-5-4-6-12(14)13(16-17)11-15-2/h4-7,15H,3,8-11H2,1-2H3
InChIKeyZNHXRCFXYNUNCH-UHFFFAOYSA-N
XLogP1.58
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-(1-methylindazol-3-yl)methanamine;hydrochloride
CID 131083250
N-methyl-1-[1-[2-(1-methylpyrazol-4-yl)ethyl]indazol-3-yl]methanamine
CID 103015728
1-[1-[2-(3-methoxypropoxy)ethyl]indazol-3-yl]-N-methylmethanamine
CID 103184311
N-methyl-1-[1-(2-propylsulfonylethyl)indol-2-yl]methanamine
CID 106731932
1-[1-[(2,6-difluorophenyl)methyl]indazol-3-yl]-N-methylmethanamine
CID 114934339
1,3-dipropylindazole
CID 174534089
N-methyl-1-[1-[3-(oxolan-2-yl)propyl]indazol-3-yl]methanamine
CID 65165688
N-[[1-(2-propoxyethyl)indazol-3-yl]methyl]propan-2-amine
CID 106458301
N-[3-[(1-ethylindazol-3-yl)methylamino]propyl]methanesulfonamide
CID 104878529
ethane;3-methyl-1-propylindazole
CID 144653830
1-[1-[(2-chloro-5-fluorophenyl)methyl]indazol-3-yl]-N-methylmethanamine
CID 102620369
2-methoxy-N-[[1-(2-propoxyethyl)indazol-3-yl]methyl]ethanamine
CID 106458306

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(2-propylsulfonylethyl)indazol-3-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(2-propylsulfonylethyl)indazol-3-yl]methanamine (CID 106731962) is N-methyl-1-[1-(2-propylsulfonylethyl)indazol-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(2-propylsulfonylethyl)indazol-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(2-propylsulfonylethyl)indazol-3-yl]methanamine is CCCS(=O)(=O)CCn1nc(CNC)c2ccccc21.
What is the InChIKey of N-methyl-1-[1-(2-propylsulfonylethyl)indazol-3-yl]methanamine?
The InChIKey is ZNHXRCFXYNUNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-3-9-20(18,19)10-8-17-14-7-5-4-6-12(14)13(16-17)11-15-2/h4-7,15H,3,8-11H2,1-2H3.
What are the key properties of N-methyl-1-[1-(2-propylsulfonylethyl)indazol-3-yl]methanamine?
N-methyl-1-[1-(2-propylsulfonylethyl)indazol-3-yl]methanamine has a molecular weight of 295.41 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(2-propylsulfonylethyl)indazol-3-yl]methanamine is sourced from PubChem (CID 106731962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).