[5-bromo-3-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-2-pyridinyl]hydrazine

C9H13BrN4O4S2 — CID 61300085

IUPAC[5-bromo-3-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-2-pyridinyl]hydrazine
SMILESNNc1ncc(Br)cc1S(=O)(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C9H13BrN4O4S2/c10-7-5-8(9(13-11)12-6-7)20(17,18)14-1-3-19(15,16)4-2-14/h5-6H,1-4,11H2,(H,12,13)
InChIKeyLNXHBBSKQVBYQU-UHFFFAOYSA-N
MW385.27 g/mol
LogP-0.45
Rot. Bonds3

About [5-bromo-3-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-2-pyridinyl]hydrazine

[5-bromo-3-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-2-pyridinyl]hydrazine (PubChem CID 61300085) has the molecular formula C9H13BrN4O4S2 and a molecular weight of 385.27 g/mol. Its IUPAC name is [5-bromo-3-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[5-bromo-3-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-2-pyridinyl]hydrazine
PubChem CID61300085
Molecular FormulaC9H13BrN4O4S2
Molecular Weight385.27 g/mol
Exact Mass383.96
IUPAC Name[5-bromo-3-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-2-pyridinyl]hydrazine
SMILESNNc1ncc(Br)cc1S(=O)(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C9H13BrN4O4S2/c10-7-5-8(9(13-11)12-6-7)20(17,18)14-1-3-19(15,16)4-2-14/h5-6H,1-4,11H2,(H,12,13)
InChIKeyLNXHBBSKQVBYQU-UHFFFAOYSA-N
XLogP-0.45
TPSA122.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.27
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-2-pyridinyl]hydrazine?
The IUPAC name of [5-bromo-3-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-2-pyridinyl]hydrazine (CID 61300085) is [5-bromo-3-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-2-pyridinyl]hydrazine.
What is the SMILES notation for [5-bromo-3-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-2-pyridinyl]hydrazine?
The canonical SMILES for [5-bromo-3-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-2-pyridinyl]hydrazine is NNc1ncc(Br)cc1S(=O)(=O)N1CCS(=O)(=O)CC1.
What is the InChIKey of [5-bromo-3-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-2-pyridinyl]hydrazine?
The InChIKey is LNXHBBSKQVBYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN4O4S2/c10-7-5-8(9(13-11)12-6-7)20(17,18)14-1-3-19(15,16)4-2-14/h5-6H,1-4,11H2,(H,12,13).
What are the key properties of [5-bromo-3-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-2-pyridinyl]hydrazine?
[5-bromo-3-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-2-pyridinyl]hydrazine has a molecular weight of 385.27 g/mol, XLogP of -0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-3-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-2-pyridinyl]hydrazine is sourced from PubChem (CID 61300085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).