2-[4-(2-hydrazinyl-2-oxoethyl)-1,1-dioxothiolan-3-yl]acetohydrazide

C8H16N4O4S — CID 21178486

IUPAC2-[4-(2-hydrazinyl-2-oxoethyl)-1,1-dioxothiolan-3-yl]acetohydrazide
SMILESNNC(=O)CC1CS(=O)(=O)CC1CC(=O)NN
InChIInChI=1S/C8H16N4O4S/c9-11-7(13)1-5-3-17(15,16)4-6(5)2-8(14)12-10/h5-6H,1-4,9-10H2,(H,11,13)(H,12,14)
InChIKeySVFSCVFGFZAFQF-UHFFFAOYSA-N
MW264.31 g/mol
LogP-2.59
Rot. Bonds4

About 2-[4-(2-hydrazinyl-2-oxoethyl)-1,1-dioxothiolan-3-yl]acetohydrazide

2-[4-(2-hydrazinyl-2-oxoethyl)-1,1-dioxothiolan-3-yl]acetohydrazide (PubChem CID 21178486) has the molecular formula C8H16N4O4S and a molecular weight of 264.31 g/mol. Its IUPAC name is 2-[4-(2-hydrazinyl-2-oxoethyl)-1,1-dioxothiolan-3-yl]acetohydrazide.

Molecular Properties

Compound Name2-[4-(2-hydrazinyl-2-oxoethyl)-1,1-dioxothiolan-3-yl]acetohydrazide
PubChem CID21178486
Molecular FormulaC8H16N4O4S
Molecular Weight264.31 g/mol
Exact Mass264.09
IUPAC Name2-[4-(2-hydrazinyl-2-oxoethyl)-1,1-dioxothiolan-3-yl]acetohydrazide
SMILESNNC(=O)CC1CS(=O)(=O)CC1CC(=O)NN
InChIInChI=1S/C8H16N4O4S/c9-11-7(13)1-5-3-17(15,16)4-6(5)2-8(14)12-10/h5-6H,1-4,9-10H2,(H,11,13)(H,12,14)
InChIKeySVFSCVFGFZAFQF-UHFFFAOYSA-N
XLogP-2.59
TPSA144.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 5-2.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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-[4-(2-hydrazinyl-2-oxoethyl)-1,1-dioxothiolan-3-yl]acetohydrazide?
The IUPAC name of 2-[4-(2-hydrazinyl-2-oxoethyl)-1,1-dioxothiolan-3-yl]acetohydrazide (CID 21178486) is 2-[4-(2-hydrazinyl-2-oxoethyl)-1,1-dioxothiolan-3-yl]acetohydrazide.
What is the SMILES notation for 2-[4-(2-hydrazinyl-2-oxoethyl)-1,1-dioxothiolan-3-yl]acetohydrazide?
The canonical SMILES for 2-[4-(2-hydrazinyl-2-oxoethyl)-1,1-dioxothiolan-3-yl]acetohydrazide is NNC(=O)CC1CS(=O)(=O)CC1CC(=O)NN.
What is the InChIKey of 2-[4-(2-hydrazinyl-2-oxoethyl)-1,1-dioxothiolan-3-yl]acetohydrazide?
The InChIKey is SVFSCVFGFZAFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O4S/c9-11-7(13)1-5-3-17(15,16)4-6(5)2-8(14)12-10/h5-6H,1-4,9-10H2,(H,11,13)(H,12,14).
What are the key properties of 2-[4-(2-hydrazinyl-2-oxoethyl)-1,1-dioxothiolan-3-yl]acetohydrazide?
2-[4-(2-hydrazinyl-2-oxoethyl)-1,1-dioxothiolan-3-yl]acetohydrazide has a molecular weight of 264.31 g/mol, XLogP of -2.59, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydrazinyl-2-oxoethyl)-1,1-dioxothiolan-3-yl]acetohydrazide is sourced from PubChem (CID 21178486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).