N-(2-ethylsulfinylethyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine

C12H21N3OS — CID 115719018

IUPACN-(2-ethylsulfinylethyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCCS(=O)CCNC1CCCc2c1cnn2C
InChIInChI=1S/C12H21N3OS/c1-3-17(16)8-7-13-11-5-4-6-12-10(11)9-14-15(12)2/h9,11,13H,3-8H2,1-2H3
InChIKeyZJCXPBAICKXIQC-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.16
Rot. Bonds5

About N-(2-ethylsulfinylethyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine

N-(2-ethylsulfinylethyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 115719018) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is N-(2-ethylsulfinylethyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound NameN-(2-ethylsulfinylethyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID115719018
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC NameN-(2-ethylsulfinylethyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCCS(=O)CCNC1CCCc2c1cnn2C
InChIInChI=1S/C12H21N3OS/c1-3-17(16)8-7-13-11-5-4-6-12-10(11)9-14-15(12)2/h9,11,13H,3-8H2,1-2H3
InChIKeyZJCXPBAICKXIQC-UHFFFAOYSA-N
XLogP1.16
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-(2-methylsulfinylethyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 115720859
1-methyl-N-propyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43254492
1-methyl-N-(3-methylsulfinylbutyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 115894424
N-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]ethyl]acetamide
CID 43254668
1-methyl-N-(3-pyrazol-1-ylpropyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 115708690
1-methyl-N-(4,4,4-trifluorobutyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 81343385
1,1-dimethyl-3-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]ethyl]urea
CID 83117026
N-(2-chloroprop-2-enyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 115890898
N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]ethanesulfonamide
CID 94197139
N-[2-(4-chlorophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43254623
N-[3-(2-methoxyethoxy)propyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43254676
1-methyl-N-[(2-methylcyclopropyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 115694381

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfinylethyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of N-(2-ethylsulfinylethyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (CID 115719018) is N-(2-ethylsulfinylethyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for N-(2-ethylsulfinylethyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for N-(2-ethylsulfinylethyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine is CCS(=O)CCNC1CCCc2c1cnn2C.
What is the InChIKey of N-(2-ethylsulfinylethyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is ZJCXPBAICKXIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-3-17(16)8-7-13-11-5-4-6-12-10(11)9-14-15(12)2/h9,11,13H,3-8H2,1-2H3.
What are the key properties of N-(2-ethylsulfinylethyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
N-(2-ethylsulfinylethyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 255.39 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfinylethyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 115719018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).