[1-(5-bromo-2-pyridinyl)-3-methyl-3-methylsulfonylbutan-2-yl]hydrazine

C11H18BrN3O2S — CID 105334662

IUPAC[1-(5-bromo-2-pyridinyl)-3-methyl-3-methylsulfonylbutan-2-yl]hydrazine
SMILESCC(C)(C(Cc1ccc(Br)cn1)NN)S(C)(=O)=O
InChIInChI=1S/C11H18BrN3O2S/c1-11(2,18(3,16)17)10(15-13)6-9-5-4-8(12)7-14-9/h4-5,7,10,15H,6,13H2,1-3H3
InChIKeyWXKUJIPGVIDUDI-UHFFFAOYSA-N
MW336.26 g/mol
LogP1.04
Rot. Bonds5

About [1-(5-bromo-2-pyridinyl)-3-methyl-3-methylsulfonylbutan-2-yl]hydrazine

[1-(5-bromo-2-pyridinyl)-3-methyl-3-methylsulfonylbutan-2-yl]hydrazine (PubChem CID 105334662) has the molecular formula C11H18BrN3O2S and a molecular weight of 336.26 g/mol. Its IUPAC name is [1-(5-bromo-2-pyridinyl)-3-methyl-3-methylsulfonylbutan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(5-bromo-2-pyridinyl)-3-methyl-3-methylsulfonylbutan-2-yl]hydrazine
PubChem CID105334662
Molecular FormulaC11H18BrN3O2S
Molecular Weight336.26 g/mol
Exact Mass335.03
IUPAC Name[1-(5-bromo-2-pyridinyl)-3-methyl-3-methylsulfonylbutan-2-yl]hydrazine
SMILESCC(C)(C(Cc1ccc(Br)cn1)NN)S(C)(=O)=O
InChIInChI=1S/C11H18BrN3O2S/c1-11(2,18(3,16)17)10(15-13)6-9-5-4-8(12)7-14-9/h4-5,7,10,15H,6,13H2,1-3H3
InChIKeyWXKUJIPGVIDUDI-UHFFFAOYSA-N
XLogP1.04
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.26
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

1-(5-bromo-2-pyridinyl)-N,3-dimethyl-3-methylsulfonylbutan-2-amine
CID 105036270
[1-(5-bromo-2-pyridinyl)-3-methoxy-3-methylbutan-2-yl]hydrazine
CID 105245333
[3-methyl-1-(1-methylpyrazol-3-yl)-3-methylsulfonylbutan-2-yl]hydrazine
CID 105329655
3-(5-bromo-2-pyridinyl)-1,1,1-trifluoro-N-methylpropan-2-amine
CID 105036466
[1-(5-bromo-2-pyridinyl)-3-methylbutan-2-yl]hydrazine
CID 105199530
[1-(4-ethylphenyl)-3-methyl-3-methylsulfonylbutan-2-yl]hydrazine
CID 105287993
1-(5-bromo-2-pyridinyl)-N-methyl-3-methylsulfonylbutan-2-amine
CID 105036373
1-(5-bromo-2-pyridinyl)-N-ethyl-3-methyl-3-phenylbutan-2-amine
CID 104801951
[1-(5-bromo-2-pyridinyl)-3-methoxypropan-2-yl]hydrazine
CID 105207194
1-(5-bromo-2-pyridinyl)-3-N,3-N-diethyl-2-N,3-dimethylbutane-2,3-diamine
CID 104802873
1-(5-bromo-2-pyridinyl)-3,3-dimethylbutan-2-ol
CID 63200943
2-(5-bromo-2-pyridinyl)-N-methyl-1-(4-methylsulfonylphenyl)ethanamine
CID 105036188

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromo-2-pyridinyl)-3-methyl-3-methylsulfonylbutan-2-yl]hydrazine?
The IUPAC name of [1-(5-bromo-2-pyridinyl)-3-methyl-3-methylsulfonylbutan-2-yl]hydrazine (CID 105334662) is [1-(5-bromo-2-pyridinyl)-3-methyl-3-methylsulfonylbutan-2-yl]hydrazine.
What is the SMILES notation for [1-(5-bromo-2-pyridinyl)-3-methyl-3-methylsulfonylbutan-2-yl]hydrazine?
The canonical SMILES for [1-(5-bromo-2-pyridinyl)-3-methyl-3-methylsulfonylbutan-2-yl]hydrazine is CC(C)(C(Cc1ccc(Br)cn1)NN)S(C)(=O)=O.
What is the InChIKey of [1-(5-bromo-2-pyridinyl)-3-methyl-3-methylsulfonylbutan-2-yl]hydrazine?
The InChIKey is WXKUJIPGVIDUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3O2S/c1-11(2,18(3,16)17)10(15-13)6-9-5-4-8(12)7-14-9/h4-5,7,10,15H,6,13H2,1-3H3.
What are the key properties of [1-(5-bromo-2-pyridinyl)-3-methyl-3-methylsulfonylbutan-2-yl]hydrazine?
[1-(5-bromo-2-pyridinyl)-3-methyl-3-methylsulfonylbutan-2-yl]hydrazine has a molecular weight of 336.26 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromo-2-pyridinyl)-3-methyl-3-methylsulfonylbutan-2-yl]hydrazine is sourced from PubChem (CID 105334662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).