1-[2-(dimethylsulfamoylamino)ethyl]-3-(furan-2-yl)-6-oxopyridazine

C12H16N4O4S — CID 16905569

IUPAC1-[2-(dimethylsulfamoylamino)ethyl]-3-(furan-2-yl)-6-oxopyridazine
SMILESCN(C)S(=O)(=O)NCCn1nc(-c2ccco2)ccc1=O
InChIInChI=1S/C12H16N4O4S/c1-15(2)21(18,19)13-7-8-16-12(17)6-5-10(14-16)11-4-3-9-20-11/h3-6,9,13H,7-8H2,1-2H3
InChIKeyAYCBPRDSFCEXAC-UHFFFAOYSA-N
MW312.35 g/mol
LogP-0.10
Rot. Bonds6

About 1-[2-(dimethylsulfamoylamino)ethyl]-3-(furan-2-yl)-6-oxopyridazine

1-[2-(dimethylsulfamoylamino)ethyl]-3-(furan-2-yl)-6-oxopyridazine (PubChem CID 16905569) has the molecular formula C12H16N4O4S and a molecular weight of 312.35 g/mol. Its IUPAC name is 1-[2-(dimethylsulfamoylamino)ethyl]-3-(furan-2-yl)-6-oxopyridazine.

Molecular Properties

Compound Name1-[2-(dimethylsulfamoylamino)ethyl]-3-(furan-2-yl)-6-oxopyridazine
PubChem CID16905569
Molecular FormulaC12H16N4O4S
Molecular Weight312.35 g/mol
Exact Mass312.09
IUPAC Name1-[2-(dimethylsulfamoylamino)ethyl]-3-(furan-2-yl)-6-oxopyridazine
SMILESCN(C)S(=O)(=O)NCCn1nc(-c2ccco2)ccc1=O
InChIInChI=1S/C12H16N4O4S/c1-15(2)21(18,19)13-7-8-16-12(17)6-5-10(14-16)11-4-3-9-20-11/h3-6,9,13H,7-8H2,1-2H3
InChIKeyAYCBPRDSFCEXAC-UHFFFAOYSA-N
XLogP-0.10
TPSA97.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylsulfamoylamino)ethyl]-3-(furan-2-yl)-6-oxopyridazine?
The IUPAC name of 1-[2-(dimethylsulfamoylamino)ethyl]-3-(furan-2-yl)-6-oxopyridazine (CID 16905569) is 1-[2-(dimethylsulfamoylamino)ethyl]-3-(furan-2-yl)-6-oxopyridazine.
What is the SMILES notation for 1-[2-(dimethylsulfamoylamino)ethyl]-3-(furan-2-yl)-6-oxopyridazine?
The canonical SMILES for 1-[2-(dimethylsulfamoylamino)ethyl]-3-(furan-2-yl)-6-oxopyridazine is CN(C)S(=O)(=O)NCCn1nc(-c2ccco2)ccc1=O.
What is the InChIKey of 1-[2-(dimethylsulfamoylamino)ethyl]-3-(furan-2-yl)-6-oxopyridazine?
The InChIKey is AYCBPRDSFCEXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O4S/c1-15(2)21(18,19)13-7-8-16-12(17)6-5-10(14-16)11-4-3-9-20-11/h3-6,9,13H,7-8H2,1-2H3.
What are the key properties of 1-[2-(dimethylsulfamoylamino)ethyl]-3-(furan-2-yl)-6-oxopyridazine?
1-[2-(dimethylsulfamoylamino)ethyl]-3-(furan-2-yl)-6-oxopyridazine has a molecular weight of 312.35 g/mol, XLogP of -0.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylsulfamoylamino)ethyl]-3-(furan-2-yl)-6-oxopyridazine is sourced from PubChem (CID 16905569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).