[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-2-pyridinyl]hydrazine

C12H14N4O2S2 — CID 43456785

IUPAC[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-2-pyridinyl]hydrazine
SMILESNNc1ncccc1S(=O)(=O)N1CCc2sccc2C1
InChIInChI=1S/C12H14N4O2S2/c13-15-12-11(2-1-5-14-12)20(17,18)16-6-3-10-9(8-16)4-7-19-10/h1-2,4-5,7H,3,6,8,13H2,(H,14,15)
InChIKeyVWVZKOZFDINOJR-UHFFFAOYSA-N
MW310.40 g/mol
LogP1.18
Rot. Bonds3

About [3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-2-pyridinyl]hydrazine

[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-2-pyridinyl]hydrazine (PubChem CID 43456785) has the molecular formula C12H14N4O2S2 and a molecular weight of 310.40 g/mol. Its IUPAC name is [3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-2-pyridinyl]hydrazine
PubChem CID43456785
Molecular FormulaC12H14N4O2S2
Molecular Weight310.40 g/mol
Exact Mass310.06
IUPAC Name[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-2-pyridinyl]hydrazine
SMILESNNc1ncccc1S(=O)(=O)N1CCc2sccc2C1
InChIInChI=1S/C12H14N4O2S2/c13-15-12-11(2-1-5-14-12)20(17,18)16-6-3-10-9(8-16)4-7-19-10/h1-2,4-5,7H,3,6,8,13H2,(H,14,15)
InChIKeyVWVZKOZFDINOJR-UHFFFAOYSA-N
XLogP1.18
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 51.18
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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Frequently Asked Questions

What is the IUPAC name of [3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-2-pyridinyl]hydrazine?
The IUPAC name of [3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-2-pyridinyl]hydrazine (CID 43456785) is [3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-2-pyridinyl]hydrazine.
What is the SMILES notation for [3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-2-pyridinyl]hydrazine?
The canonical SMILES for [3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-2-pyridinyl]hydrazine is NNc1ncccc1S(=O)(=O)N1CCc2sccc2C1.
What is the InChIKey of [3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-2-pyridinyl]hydrazine?
The InChIKey is VWVZKOZFDINOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S2/c13-15-12-11(2-1-5-14-12)20(17,18)16-6-3-10-9(8-16)4-7-19-10/h1-2,4-5,7H,3,6,8,13H2,(H,14,15).
What are the key properties of [3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-2-pyridinyl]hydrazine?
[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-2-pyridinyl]hydrazine has a molecular weight of 310.40 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-2-pyridinyl]hydrazine is sourced from PubChem (CID 43456785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).