[5-bromo-3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-2-pyridinyl]hydrazine

C12H19BrN4O2S — CID 83218746

IUPAC[5-bromo-3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-2-pyridinyl]hydrazine
SMILESCCC1CCC(C)N1S(=O)(=O)c1cc(Br)cnc1NN
InChIInChI=1S/C12H19BrN4O2S/c1-3-10-5-4-8(2)17(10)20(18,19)11-6-9(13)7-15-12(11)16-14/h6-8,10H,3-5,14H2,1-2H3,(H,15,16)
InChIKeyISKXNRPGTAZHKL-UHFFFAOYSA-N
MW363.28 g/mol
LogP2.08
Rot. Bonds4

About [5-bromo-3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-2-pyridinyl]hydrazine

[5-bromo-3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-2-pyridinyl]hydrazine (PubChem CID 83218746) has the molecular formula C12H19BrN4O2S and a molecular weight of 363.28 g/mol. Its IUPAC name is [5-bromo-3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[5-bromo-3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-2-pyridinyl]hydrazine
PubChem CID83218746
Molecular FormulaC12H19BrN4O2S
Molecular Weight363.28 g/mol
Exact Mass362.04
IUPAC Name[5-bromo-3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-2-pyridinyl]hydrazine
SMILESCCC1CCC(C)N1S(=O)(=O)c1cc(Br)cnc1NN
InChIInChI=1S/C12H19BrN4O2S/c1-3-10-5-4-8(2)17(10)20(18,19)11-6-9(13)7-15-12(11)16-14/h6-8,10H,3-5,14H2,1-2H3,(H,15,16)
InChIKeyISKXNRPGTAZHKL-UHFFFAOYSA-N
XLogP2.08
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.28
LogP ≤ 52.08
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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Frequently Asked Questions

What is the IUPAC name of [5-bromo-3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-2-pyridinyl]hydrazine?
The IUPAC name of [5-bromo-3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-2-pyridinyl]hydrazine (CID 83218746) is [5-bromo-3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-2-pyridinyl]hydrazine.
What is the SMILES notation for [5-bromo-3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-2-pyridinyl]hydrazine?
The canonical SMILES for [5-bromo-3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-2-pyridinyl]hydrazine is CCC1CCC(C)N1S(=O)(=O)c1cc(Br)cnc1NN.
What is the InChIKey of [5-bromo-3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-2-pyridinyl]hydrazine?
The InChIKey is ISKXNRPGTAZHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN4O2S/c1-3-10-5-4-8(2)17(10)20(18,19)11-6-9(13)7-15-12(11)16-14/h6-8,10H,3-5,14H2,1-2H3,(H,15,16).
What are the key properties of [5-bromo-3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-2-pyridinyl]hydrazine?
[5-bromo-3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-2-pyridinyl]hydrazine has a molecular weight of 363.28 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-2-pyridinyl]hydrazine is sourced from PubChem (CID 83218746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).