N-[(E)-2-(2-methylsulfonylhydrazinyl)prop-2-enylideneamino]methanesulfonamide

C5H12N4O4S2 — CID 117062207

IUPACN-[(E)-2-(2-methylsulfonylhydrazinyl)prop-2-enylideneamino]methanesulfonamide
SMILESC=C(/C=N/NS(C)(=O)=O)NNS(C)(=O)=O
InChIInChI=1S/C5H12N4O4S2/c1-5(7-9-15(3,12)13)4-6-8-14(2,10)11/h4,7-9H,1H2,2-3H3/b6-4+
InChIKeyZZWSVYXJXVGSIG-GQCTYLIASA-N
MW256.31 g/mol
LogP-1.91
Rot. Bonds6

About N-[(E)-2-(2-methylsulfonylhydrazinyl)prop-2-enylideneamino]methanesulfonamide

N-[(E)-2-(2-methylsulfonylhydrazinyl)prop-2-enylideneamino]methanesulfonamide (PubChem CID 117062207) has the molecular formula C5H12N4O4S2 and a molecular weight of 256.31 g/mol. Its IUPAC name is N-[(E)-2-(2-methylsulfonylhydrazinyl)prop-2-enylideneamino]methanesulfonamide.

Molecular Properties

Compound NameN-[(E)-2-(2-methylsulfonylhydrazinyl)prop-2-enylideneamino]methanesulfonamide
PubChem CID117062207
Molecular FormulaC5H12N4O4S2
Molecular Weight256.31 g/mol
Exact Mass256.03
IUPAC NameN-[(E)-2-(2-methylsulfonylhydrazinyl)prop-2-enylideneamino]methanesulfonamide
SMILESC=C(/C=N/NS(C)(=O)=O)NNS(C)(=O)=O
InChIInChI=1S/C5H12N4O4S2/c1-5(7-9-15(3,12)13)4-6-8-14(2,10)11/h4,7-9H,1H2,2-3H3/b6-4+
InChIKeyZZWSVYXJXVGSIG-GQCTYLIASA-N
XLogP-1.91
TPSA116.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 5-1.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 N-[(E)-2-(2-methylsulfonylhydrazinyl)prop-2-enylideneamino]methanesulfonamide?
The IUPAC name of N-[(E)-2-(2-methylsulfonylhydrazinyl)prop-2-enylideneamino]methanesulfonamide (CID 117062207) is N-[(E)-2-(2-methylsulfonylhydrazinyl)prop-2-enylideneamino]methanesulfonamide.
What is the SMILES notation for N-[(E)-2-(2-methylsulfonylhydrazinyl)prop-2-enylideneamino]methanesulfonamide?
The canonical SMILES for N-[(E)-2-(2-methylsulfonylhydrazinyl)prop-2-enylideneamino]methanesulfonamide is C=C(/C=N/NS(C)(=O)=O)NNS(C)(=O)=O.
What is the InChIKey of N-[(E)-2-(2-methylsulfonylhydrazinyl)prop-2-enylideneamino]methanesulfonamide?
The InChIKey is ZZWSVYXJXVGSIG-GQCTYLIASA-N. The full InChI is InChI=1S/C5H12N4O4S2/c1-5(7-9-15(3,12)13)4-6-8-14(2,10)11/h4,7-9H,1H2,2-3H3/b6-4+.
What are the key properties of N-[(E)-2-(2-methylsulfonylhydrazinyl)prop-2-enylideneamino]methanesulfonamide?
N-[(E)-2-(2-methylsulfonylhydrazinyl)prop-2-enylideneamino]methanesulfonamide has a molecular weight of 256.31 g/mol, XLogP of -1.91, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-(2-methylsulfonylhydrazinyl)prop-2-enylideneamino]methanesulfonamide is sourced from PubChem (CID 117062207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).