methyl 2-[1-[[6-(dimethylcarbamoyl)pyridazin-3-yl]sulfanylmethyl]cyclopropyl]acetate

C14H19N3O3S — CID 107777050

IUPACmethyl 2-[1-[[6-(dimethylcarbamoyl)pyridazin-3-yl]sulfanylmethyl]cyclopropyl]acetate
SMILESCOC(=O)CC1(CSc2ccc(C(=O)N(C)C)nn2)CC1
InChIInChI=1S/C14H19N3O3S/c1-17(2)13(19)10-4-5-11(16-15-10)21-9-14(6-7-14)8-12(18)20-3/h4-5H,6-9H2,1-3H3
InChIKeyDAWUXMWVWJFOPG-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.61
Rot. Bonds6

About methyl 2-[1-[[6-(dimethylcarbamoyl)pyridazin-3-yl]sulfanylmethyl]cyclopropyl]acetate

methyl 2-[1-[[6-(dimethylcarbamoyl)pyridazin-3-yl]sulfanylmethyl]cyclopropyl]acetate (PubChem CID 107777050) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is methyl 2-[1-[[6-(dimethylcarbamoyl)pyridazin-3-yl]sulfanylmethyl]cyclopropyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[[6-(dimethylcarbamoyl)pyridazin-3-yl]sulfanylmethyl]cyclopropyl]acetate
PubChem CID107777050
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Namemethyl 2-[1-[[6-(dimethylcarbamoyl)pyridazin-3-yl]sulfanylmethyl]cyclopropyl]acetate
SMILESCOC(=O)CC1(CSc2ccc(C(=O)N(C)C)nn2)CC1
InChIInChI=1S/C14H19N3O3S/c1-17(2)13(19)10-4-5-11(16-15-10)21-9-14(6-7-14)8-12(18)20-3/h4-5H,6-9H2,1-3H3
InChIKeyDAWUXMWVWJFOPG-UHFFFAOYSA-N
XLogP1.61
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[[6-(dimethylcarbamoyl)pyridazin-3-yl]sulfanylmethyl]cyclopropyl]acetate?
The IUPAC name of methyl 2-[1-[[6-(dimethylcarbamoyl)pyridazin-3-yl]sulfanylmethyl]cyclopropyl]acetate (CID 107777050) is methyl 2-[1-[[6-(dimethylcarbamoyl)pyridazin-3-yl]sulfanylmethyl]cyclopropyl]acetate.
What is the SMILES notation for methyl 2-[1-[[6-(dimethylcarbamoyl)pyridazin-3-yl]sulfanylmethyl]cyclopropyl]acetate?
The canonical SMILES for methyl 2-[1-[[6-(dimethylcarbamoyl)pyridazin-3-yl]sulfanylmethyl]cyclopropyl]acetate is COC(=O)CC1(CSc2ccc(C(=O)N(C)C)nn2)CC1.
What is the InChIKey of methyl 2-[1-[[6-(dimethylcarbamoyl)pyridazin-3-yl]sulfanylmethyl]cyclopropyl]acetate?
The InChIKey is DAWUXMWVWJFOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-17(2)13(19)10-4-5-11(16-15-10)21-9-14(6-7-14)8-12(18)20-3/h4-5H,6-9H2,1-3H3.
What are the key properties of methyl 2-[1-[[6-(dimethylcarbamoyl)pyridazin-3-yl]sulfanylmethyl]cyclopropyl]acetate?
methyl 2-[1-[[6-(dimethylcarbamoyl)pyridazin-3-yl]sulfanylmethyl]cyclopropyl]acetate has a molecular weight of 309.39 g/mol, XLogP of 1.61, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[[6-(dimethylcarbamoyl)pyridazin-3-yl]sulfanylmethyl]cyclopropyl]acetate is sourced from PubChem (CID 107777050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).