2-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-6-thiophen-2-ylpyridazin-3-one

C14H17N3O3S2 — CID 16672235

IUPAC2-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-6-thiophen-2-ylpyridazin-3-one
SMILESCS(=O)(=O)N1CCC[C@@H]1Cn1nc(-c2cccs2)ccc1=O
InChIInChI=1S/C14H17N3O3S2/c1-22(19,20)17-8-2-4-11(17)10-16-14(18)7-6-12(15-16)13-5-3-9-21-13/h3,5-7,9,11H,2,4,8,10H2,1H3/t11-/m1/s1
InChIKeyYMNYTWYBWIPPCX-LLVKDONJSA-N
MW339.44 g/mol
LogP1.40
Rot. Bonds4

About 2-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-6-thiophen-2-ylpyridazin-3-one

2-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-6-thiophen-2-ylpyridazin-3-one (PubChem CID 16672235) has the molecular formula C14H17N3O3S2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-6-thiophen-2-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-6-thiophen-2-ylpyridazin-3-one
PubChem CID16672235
Molecular FormulaC14H17N3O3S2
Molecular Weight339.44 g/mol
Exact Mass339.07
IUPAC Name2-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-6-thiophen-2-ylpyridazin-3-one
SMILESCS(=O)(=O)N1CCC[C@@H]1Cn1nc(-c2cccs2)ccc1=O
InChIInChI=1S/C14H17N3O3S2/c1-22(19,20)17-8-2-4-11(17)10-16-14(18)7-6-12(15-16)13-5-3-9-21-13/h3,5-7,9,11H,2,4,8,10H2,1H3/t11-/m1/s1
InChIKeyYMNYTWYBWIPPCX-LLVKDONJSA-N
XLogP1.40
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-6-thiophen-2-ylpyridazin-3-one?
The IUPAC name of 2-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-6-thiophen-2-ylpyridazin-3-one (CID 16672235) is 2-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-6-thiophen-2-ylpyridazin-3-one.
What is the SMILES notation for 2-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-6-thiophen-2-ylpyridazin-3-one?
The canonical SMILES for 2-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-6-thiophen-2-ylpyridazin-3-one is CS(=O)(=O)N1CCC[C@@H]1Cn1nc(-c2cccs2)ccc1=O.
What is the InChIKey of 2-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-6-thiophen-2-ylpyridazin-3-one?
The InChIKey is YMNYTWYBWIPPCX-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17N3O3S2/c1-22(19,20)17-8-2-4-11(17)10-16-14(18)7-6-12(15-16)13-5-3-9-21-13/h3,5-7,9,11H,2,4,8,10H2,1H3/t11-/m1/s1.
What are the key properties of 2-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-6-thiophen-2-ylpyridazin-3-one?
2-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-6-thiophen-2-ylpyridazin-3-one has a molecular weight of 339.44 g/mol, XLogP of 1.40, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-6-thiophen-2-ylpyridazin-3-one is sourced from PubChem (CID 16672235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).