1-[2-(dimethylsulfamoylamino)ethyl]-6-oxo-3-thiophen-2-ylpyridazine

C12H16N4O3S2 — CID 16905753

IUPAC1-[2-(dimethylsulfamoylamino)ethyl]-6-oxo-3-thiophen-2-ylpyridazine
SMILESCN(C)S(=O)(=O)NCCn1nc(-c2cccs2)ccc1=O
InChIInChI=1S/C12H16N4O3S2/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
InChIKeyBHJFSRZYYIODDX-UHFFFAOYSA-N
MW328.42 g/mol
LogP0.37
Rot. Bonds6

About 1-[2-(dimethylsulfamoylamino)ethyl]-6-oxo-3-thiophen-2-ylpyridazine

1-[2-(dimethylsulfamoylamino)ethyl]-6-oxo-3-thiophen-2-ylpyridazine (PubChem CID 16905753) has the molecular formula C12H16N4O3S2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-[2-(dimethylsulfamoylamino)ethyl]-6-oxo-3-thiophen-2-ylpyridazine.

Molecular Properties

Compound Name1-[2-(dimethylsulfamoylamino)ethyl]-6-oxo-3-thiophen-2-ylpyridazine
PubChem CID16905753
Molecular FormulaC12H16N4O3S2
Molecular Weight328.42 g/mol
Exact Mass328.07
IUPAC Name1-[2-(dimethylsulfamoylamino)ethyl]-6-oxo-3-thiophen-2-ylpyridazine
SMILESCN(C)S(=O)(=O)NCCn1nc(-c2cccs2)ccc1=O
InChIInChI=1S/C12H16N4O3S2/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
InChIKeyBHJFSRZYYIODDX-UHFFFAOYSA-N
XLogP0.37
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 50.37
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]-6-oxo-3-thiophen-2-ylpyridazine?
The IUPAC name of 1-[2-(dimethylsulfamoylamino)ethyl]-6-oxo-3-thiophen-2-ylpyridazine (CID 16905753) is 1-[2-(dimethylsulfamoylamino)ethyl]-6-oxo-3-thiophen-2-ylpyridazine.
What is the SMILES notation for 1-[2-(dimethylsulfamoylamino)ethyl]-6-oxo-3-thiophen-2-ylpyridazine?
The canonical SMILES for 1-[2-(dimethylsulfamoylamino)ethyl]-6-oxo-3-thiophen-2-ylpyridazine is CN(C)S(=O)(=O)NCCn1nc(-c2cccs2)ccc1=O.
What is the InChIKey of 1-[2-(dimethylsulfamoylamino)ethyl]-6-oxo-3-thiophen-2-ylpyridazine?
The InChIKey is BHJFSRZYYIODDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S2/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]-6-oxo-3-thiophen-2-ylpyridazine?
1-[2-(dimethylsulfamoylamino)ethyl]-6-oxo-3-thiophen-2-ylpyridazine has a molecular weight of 328.42 g/mol, XLogP of 0.37, 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]-6-oxo-3-thiophen-2-ylpyridazine is sourced from PubChem (CID 16905753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).