N'-[2-(2-methylsulfonylhydrazinyl)ethynyl]methanesulfonohydrazide

C4H10N4O4S2 — CID 91177502

IUPACN'-[2-(2-methylsulfonylhydrazinyl)ethynyl]methanesulfonohydrazide
SMILESCS(=O)(=O)NNC#CNNS(C)(=O)=O
InChIInChI=1S/C4H10N4O4S2/c1-13(9,10)7-5-3-4-6-8-14(2,11)12/h5-8H,1-2H3
InChIKeyHDUFUZGCEJBTIV-UHFFFAOYSA-N
MW242.28 g/mol
LogP-2.99
Rot. Bonds4

About N'-[2-(2-methylsulfonylhydrazinyl)ethynyl]methanesulfonohydrazide

N'-[2-(2-methylsulfonylhydrazinyl)ethynyl]methanesulfonohydrazide (PubChem CID 91177502) has the molecular formula C4H10N4O4S2 and a molecular weight of 242.28 g/mol. Its IUPAC name is N'-[2-(2-methylsulfonylhydrazinyl)ethynyl]methanesulfonohydrazide.

Molecular Properties

Compound NameN'-[2-(2-methylsulfonylhydrazinyl)ethynyl]methanesulfonohydrazide
PubChem CID91177502
Molecular FormulaC4H10N4O4S2
Molecular Weight242.28 g/mol
Exact Mass242.01
IUPAC NameN'-[2-(2-methylsulfonylhydrazinyl)ethynyl]methanesulfonohydrazide
SMILESCS(=O)(=O)NNC#CNNS(C)(=O)=O
InChIInChI=1S/C4H10N4O4S2/c1-13(9,10)7-5-3-4-6-8-14(2,11)12/h5-8H,1-2H3
InChIKeyHDUFUZGCEJBTIV-UHFFFAOYSA-N
XLogP-2.99
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 5-2.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-methylsulfonylhydrazinyl)ethynyl]methanesulfonohydrazide?
The IUPAC name of N'-[2-(2-methylsulfonylhydrazinyl)ethynyl]methanesulfonohydrazide (CID 91177502) is N'-[2-(2-methylsulfonylhydrazinyl)ethynyl]methanesulfonohydrazide.
What is the SMILES notation for N'-[2-(2-methylsulfonylhydrazinyl)ethynyl]methanesulfonohydrazide?
The canonical SMILES for N'-[2-(2-methylsulfonylhydrazinyl)ethynyl]methanesulfonohydrazide is CS(=O)(=O)NNC#CNNS(C)(=O)=O.
What is the InChIKey of N'-[2-(2-methylsulfonylhydrazinyl)ethynyl]methanesulfonohydrazide?
The InChIKey is HDUFUZGCEJBTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N4O4S2/c1-13(9,10)7-5-3-4-6-8-14(2,11)12/h5-8H,1-2H3.
What are the key properties of N'-[2-(2-methylsulfonylhydrazinyl)ethynyl]methanesulfonohydrazide?
N'-[2-(2-methylsulfonylhydrazinyl)ethynyl]methanesulfonohydrazide has a molecular weight of 242.28 g/mol, XLogP of -2.99, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-methylsulfonylhydrazinyl)ethynyl]methanesulfonohydrazide is sourced from PubChem (CID 91177502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).