[6-[2-(ethylcarbamoyl)hydrazinyl]-4-methylsulfonyl-2-pyridinyl] methanesulfinate

C10H16N4O5S2 — CID 20657452

IUPAC[6-[2-(ethylcarbamoyl)hydrazinyl]-4-methylsulfonyl-2-pyridinyl] methanesulfinate
SMILESCCNC(=O)NNc1cc(S(C)(=O)=O)cc(OS(C)=O)n1
InChIInChI=1S/C10H16N4O5S2/c1-4-11-10(15)14-13-8-5-7(21(3,17)18)6-9(12-8)19-20(2)16/h5-6H,4H2,1-3H3,(H,12,13)(H2,11,14,15)
InChIKeyROYYUBQQOAJWDI-UHFFFAOYSA-N
MW336.40 g/mol
LogP-0.20
Rot. Bonds6

About [6-[2-(ethylcarbamoyl)hydrazinyl]-4-methylsulfonyl-2-pyridinyl] methanesulfinate

[6-[2-(ethylcarbamoyl)hydrazinyl]-4-methylsulfonyl-2-pyridinyl] methanesulfinate (PubChem CID 20657452) has the molecular formula C10H16N4O5S2 and a molecular weight of 336.40 g/mol. Its IUPAC name is [6-[2-(ethylcarbamoyl)hydrazinyl]-4-methylsulfonyl-2-pyridinyl] methanesulfinate.

Molecular Properties

Compound Name[6-[2-(ethylcarbamoyl)hydrazinyl]-4-methylsulfonyl-2-pyridinyl] methanesulfinate
PubChem CID20657452
Molecular FormulaC10H16N4O5S2
Molecular Weight336.40 g/mol
Exact Mass336.06
IUPAC Name[6-[2-(ethylcarbamoyl)hydrazinyl]-4-methylsulfonyl-2-pyridinyl] methanesulfinate
SMILESCCNC(=O)NNc1cc(S(C)(=O)=O)cc(OS(C)=O)n1
InChIInChI=1S/C10H16N4O5S2/c1-4-11-10(15)14-13-8-5-7(21(3,17)18)6-9(12-8)19-20(2)16/h5-6H,4H2,1-3H3,(H,12,13)(H2,11,14,15)
InChIKeyROYYUBQQOAJWDI-UHFFFAOYSA-N
XLogP-0.20
TPSA126.49 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [6-[2-(ethylcarbamoyl)hydrazinyl]-4-methylsulfonyl-2-pyridinyl] methanesulfinate?
The IUPAC name of [6-[2-(ethylcarbamoyl)hydrazinyl]-4-methylsulfonyl-2-pyridinyl] methanesulfinate (CID 20657452) is [6-[2-(ethylcarbamoyl)hydrazinyl]-4-methylsulfonyl-2-pyridinyl] methanesulfinate.
What is the SMILES notation for [6-[2-(ethylcarbamoyl)hydrazinyl]-4-methylsulfonyl-2-pyridinyl] methanesulfinate?
The canonical SMILES for [6-[2-(ethylcarbamoyl)hydrazinyl]-4-methylsulfonyl-2-pyridinyl] methanesulfinate is CCNC(=O)NNc1cc(S(C)(=O)=O)cc(OS(C)=O)n1.
What is the InChIKey of [6-[2-(ethylcarbamoyl)hydrazinyl]-4-methylsulfonyl-2-pyridinyl] methanesulfinate?
The InChIKey is ROYYUBQQOAJWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O5S2/c1-4-11-10(15)14-13-8-5-7(21(3,17)18)6-9(12-8)19-20(2)16/h5-6H,4H2,1-3H3,(H,12,13)(H2,11,14,15).
What are the key properties of [6-[2-(ethylcarbamoyl)hydrazinyl]-4-methylsulfonyl-2-pyridinyl] methanesulfinate?
[6-[2-(ethylcarbamoyl)hydrazinyl]-4-methylsulfonyl-2-pyridinyl] methanesulfinate has a molecular weight of 336.40 g/mol, XLogP of -0.20, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-(ethylcarbamoyl)hydrazinyl]-4-methylsulfonyl-2-pyridinyl] methanesulfinate is sourced from PubChem (CID 20657452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).