2-prop-2-ynylsulfonylacetohydrazide

C5H8N2O3S — CID 82368921

IUPAC2-prop-2-ynylsulfonylacetohydrazide
SMILESC#CCS(=O)(=O)CC(=O)NN
InChIInChI=1S/C5H8N2O3S/c1-2-3-11(9,10)4-5(8)7-6/h1H,3-4,6H2,(H,7,8)
InChIKeyVRDANPKNXZJGNH-UHFFFAOYSA-N
MW176.20 g/mol
LogP-1.98
Rot. Bonds3

About 2-prop-2-ynylsulfonylacetohydrazide

2-prop-2-ynylsulfonylacetohydrazide (PubChem CID 82368921) has the molecular formula C5H8N2O3S and a molecular weight of 176.20 g/mol. Its IUPAC name is 2-prop-2-ynylsulfonylacetohydrazide.

Molecular Properties

Compound Name2-prop-2-ynylsulfonylacetohydrazide
PubChem CID82368921
Molecular FormulaC5H8N2O3S
Molecular Weight176.20 g/mol
Exact Mass176.03
IUPAC Name2-prop-2-ynylsulfonylacetohydrazide
SMILESC#CCS(=O)(=O)CC(=O)NN
InChIInChI=1S/C5H8N2O3S/c1-2-3-11(9,10)4-5(8)7-6/h1H,3-4,6H2,(H,7,8)
InChIKeyVRDANPKNXZJGNH-UHFFFAOYSA-N
XLogP-1.98
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.20
LogP ≤ 5-1.98
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

Bis(hydrazinocarbonylmethyl) sulfoxide
CID 129769119
2-Ethylsulfonylacetohydrazide
CID 130710740
2-Methanesulfonylacetohydrazide
CID 20397392
2-Propylsulfonylacetohydrazide
CID 23162551
2-Propylsulfinylacetohydrazide
CID 23162556
3-Ethylsulfonylpropanehydrazide
CID 23162557
3-Methylsulfonylpropanehydrazide
CID 43168565
N'-acetyl-2-methylsulfonylacetohydrazide
CID 130740450
N'-methyl-2-propan-2-ylsulfonylacetohydrazide
CID 137433329
N'-(2-methylsulfonylacetyl)propanehydrazide
CID 167239436
2-(1,1-Dioxothiolan-3-yl)sulfanylacetohydrazide
CID 43236741
2-(2-Methylsulfonylethylsulfanyl)propanehydrazide
CID 63658912

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-ynylsulfonylacetohydrazide?
The IUPAC name of 2-prop-2-ynylsulfonylacetohydrazide (CID 82368921) is 2-prop-2-ynylsulfonylacetohydrazide.
What is the SMILES notation for 2-prop-2-ynylsulfonylacetohydrazide?
The canonical SMILES for 2-prop-2-ynylsulfonylacetohydrazide is C#CCS(=O)(=O)CC(=O)NN.
What is the InChIKey of 2-prop-2-ynylsulfonylacetohydrazide?
The InChIKey is VRDANPKNXZJGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O3S/c1-2-3-11(9,10)4-5(8)7-6/h1H,3-4,6H2,(H,7,8).
What are the key properties of 2-prop-2-ynylsulfonylacetohydrazide?
2-prop-2-ynylsulfonylacetohydrazide has a molecular weight of 176.20 g/mol, XLogP of -1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-ynylsulfonylacetohydrazide is sourced from PubChem (CID 82368921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).