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'}

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

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Related Compounds

methyl 2-[(3S,4S)-4-(2-methoxy-2-oxoethyl)-1,1-dioxothiolan-3-yl]acetate
CID 6555935
ethyl 2-[(3S,4R)-4-(2-ethoxy-2-oxoethyl)-1,1-dioxothiolan-3-yl]acetate
CID 1382306
2-(2-hydroxycycloheptyl)acetohydrazide
CID 130147718
2-(1,1-dioxothian-2-yl)acetohydrazide
CID 84674346
2-(4-hydroxythian-3-yl)acetohydrazide
CID 130123705
methyl 3-[[2-[4-[2-(3-methoxycarbonylanilino)-2-oxoethyl]-1,1-dioxothiolan-3-yl]acetyl]amino]benzoate
CID 21179067
ethyl N-[(3R,4R)-1,1-dioxo-4-(propanoylamino)thiolan-3-yl]carbamate
CID 100825852
[4-(2-fluoroethyl)-1,1-dioxothiolan-3-yl]methanamine
CID 115020252
butanedihydrazide;hydrochloride
CID 54607274
3-[(1,1-dioxothiolan-3-yl)-methylamino]butanehydrazide
CID 63574276
1-(4-amino-1,1-dioxothiolan-3-yl)propan-2-ol
CID 115019537
3-cyclopentylsulfanylpropanehydrazide
CID 60782274

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).