2-(1,1-dioxothian-2-yl)acetohydrazide

C7H14N2O3S — CID 84674346

IUPAC2-(1,1-dioxothian-2-yl)acetohydrazide
SMILESNNC(=O)CC1CCCCS1(=O)=O
InChIInChI=1S/C7H14N2O3S/c8-9-7(10)5-6-3-1-2-4-13(6,11)12/h6H,1-5,8H2,(H,9,10)
InChIKeyZPTNPAVLXBLYKT-UHFFFAOYSA-N
MW206.27 g/mol
LogP-0.67
Rot. Bonds2

About 2-(1,1-dioxothian-2-yl)acetohydrazide

2-(1,1-dioxothian-2-yl)acetohydrazide (PubChem CID 84674346) has the molecular formula C7H14N2O3S and a molecular weight of 206.27 g/mol. Its IUPAC name is 2-(1,1-dioxothian-2-yl)acetohydrazide.

Molecular Properties

Compound Name2-(1,1-dioxothian-2-yl)acetohydrazide
PubChem CID84674346
Molecular FormulaC7H14N2O3S
Molecular Weight206.27 g/mol
Exact Mass206.07
IUPAC Name2-(1,1-dioxothian-2-yl)acetohydrazide
SMILESNNC(=O)CC1CCCCS1(=O)=O
InChIInChI=1S/C7H14N2O3S/c8-9-7(10)5-6-3-1-2-4-13(6,11)12/h6H,1-5,8H2,(H,9,10)
InChIKeyZPTNPAVLXBLYKT-UHFFFAOYSA-N
XLogP-0.67
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'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 2-(1,1-dioxothian-2-yl)acetohydrazide?
The IUPAC name of 2-(1,1-dioxothian-2-yl)acetohydrazide (CID 84674346) is 2-(1,1-dioxothian-2-yl)acetohydrazide.
What is the SMILES notation for 2-(1,1-dioxothian-2-yl)acetohydrazide?
The canonical SMILES for 2-(1,1-dioxothian-2-yl)acetohydrazide is NNC(=O)CC1CCCCS1(=O)=O.
What is the InChIKey of 2-(1,1-dioxothian-2-yl)acetohydrazide?
The InChIKey is ZPTNPAVLXBLYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3S/c8-9-7(10)5-6-3-1-2-4-13(6,11)12/h6H,1-5,8H2,(H,9,10).
What are the key properties of 2-(1,1-dioxothian-2-yl)acetohydrazide?
2-(1,1-dioxothian-2-yl)acetohydrazide has a molecular weight of 206.27 g/mol, XLogP of -0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothian-2-yl)acetohydrazide is sourced from PubChem (CID 84674346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).