[1-(1-methylindazol-3-yl)-3-methylsulfonylbutan-2-yl]hydrazine

C13H20N4O2S — CID 105318176

IUPAC[1-(1-methylindazol-3-yl)-3-methylsulfonylbutan-2-yl]hydrazine
SMILESCC(C(Cc1nn(C)c2ccccc12)NN)S(C)(=O)=O
InChIInChI=1S/C13H20N4O2S/c1-9(20(3,18)19)11(15-14)8-12-10-6-4-5-7-13(10)17(2)16-12/h4-7,9,11,15H,8,14H2,1-3H3
InChIKeyFPKXADFCAIYBAW-UHFFFAOYSA-N
MW296.40 g/mol
LogP0.38
Rot. Bonds5

About [1-(1-methylindazol-3-yl)-3-methylsulfonylbutan-2-yl]hydrazine

[1-(1-methylindazol-3-yl)-3-methylsulfonylbutan-2-yl]hydrazine (PubChem CID 105318176) has the molecular formula C13H20N4O2S and a molecular weight of 296.40 g/mol. Its IUPAC name is [1-(1-methylindazol-3-yl)-3-methylsulfonylbutan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(1-methylindazol-3-yl)-3-methylsulfonylbutan-2-yl]hydrazine
PubChem CID105318176
Molecular FormulaC13H20N4O2S
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC Name[1-(1-methylindazol-3-yl)-3-methylsulfonylbutan-2-yl]hydrazine
SMILESCC(C(Cc1nn(C)c2ccccc12)NN)S(C)(=O)=O
InChIInChI=1S/C13H20N4O2S/c1-9(20(3,18)19)11(15-14)8-12-10-6-4-5-7-13(10)17(2)16-12/h4-7,9,11,15H,8,14H2,1-3H3
InChIKeyFPKXADFCAIYBAW-UHFFFAOYSA-N
XLogP0.38
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-(1-methylindazol-3-yl)-3-methylsulfonylbutan-2-amine
CID 105001238
[3-ethyl-1-(1-methylindazol-3-yl)heptan-2-yl]hydrazine
CID 105318169
[1-(4-iodophenyl)-2-(1-methylindazol-3-yl)ethyl]hydrazine
CID 105318206
[5,5,5-trifluoro-1-(1-methylindazol-3-yl)pentan-2-yl]hydrazine
CID 105248982
[1-(5-bromothiophen-2-yl)-2-(1-methylindazol-3-yl)ethyl]hydrazine
CID 105222148
[2-(1-methylindazol-3-yl)-1-(1,2,5-thiadiazol-3-yl)ethyl]hydrazine
CID 105318162
[2-(1-methylindazol-3-yl)-1-(2-methylpyrimidin-4-yl)ethyl]hydrazine
CID 105260499
[2-(1-methylindazol-3-yl)-1-(4-methyl-2-pyridinyl)ethyl]hydrazine
CID 105219973
N-[(1-methylindazol-3-yl)methyl]-3-methylsulfonylpropan-1-amine
CID 63378560
3-methoxy-4-methyl-1-(1-methylindazol-3-yl)pentan-2-amine
CID 116719859
N,3,3-trimethyl-2-[(1-methylindazol-3-yl)methyl]butan-1-amine
CID 83139294
N,4-dimethyl-1-(1-methylindazol-3-yl)hexan-2-amine
CID 105001190

Frequently Asked Questions

What is the IUPAC name of [1-(1-methylindazol-3-yl)-3-methylsulfonylbutan-2-yl]hydrazine?
The IUPAC name of [1-(1-methylindazol-3-yl)-3-methylsulfonylbutan-2-yl]hydrazine (CID 105318176) is [1-(1-methylindazol-3-yl)-3-methylsulfonylbutan-2-yl]hydrazine.
What is the SMILES notation for [1-(1-methylindazol-3-yl)-3-methylsulfonylbutan-2-yl]hydrazine?
The canonical SMILES for [1-(1-methylindazol-3-yl)-3-methylsulfonylbutan-2-yl]hydrazine is CC(C(Cc1nn(C)c2ccccc12)NN)S(C)(=O)=O.
What is the InChIKey of [1-(1-methylindazol-3-yl)-3-methylsulfonylbutan-2-yl]hydrazine?
The InChIKey is FPKXADFCAIYBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S/c1-9(20(3,18)19)11(15-14)8-12-10-6-4-5-7-13(10)17(2)16-12/h4-7,9,11,15H,8,14H2,1-3H3.
What are the key properties of [1-(1-methylindazol-3-yl)-3-methylsulfonylbutan-2-yl]hydrazine?
[1-(1-methylindazol-3-yl)-3-methylsulfonylbutan-2-yl]hydrazine has a molecular weight of 296.40 g/mol, XLogP of 0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-methylindazol-3-yl)-3-methylsulfonylbutan-2-yl]hydrazine is sourced from PubChem (CID 105318176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).