3-methyl-6-[(3S)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridazine

C14H17N3O3S2 — CID 100629815

IUPAC3-methyl-6-[(3S)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridazine
SMILESCc1ccc(O[C@H]2CCN(S(=O)(=O)c3ccc(C)s3)C2)nn1
InChIInChI=1S/C14H17N3O3S2/c1-10-3-5-13(16-15-10)20-12-7-8-17(9-12)22(18,19)14-6-4-11(2)21-14/h3-6,12H,7-9H2,1-2H3/t12-/m0/s1
InChIKeySHSUFLPTODHAGL-LBPRGKRZSA-N
MW339.44 g/mol
LogP2.00
Rot. Bonds4

About 3-methyl-6-[(3S)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridazine

3-methyl-6-[(3S)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridazine (PubChem CID 100629815) has the molecular formula C14H17N3O3S2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-methyl-6-[(3S)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridazine.

Molecular Properties

Compound Name3-methyl-6-[(3S)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridazine
PubChem CID100629815
Molecular FormulaC14H17N3O3S2
Molecular Weight339.44 g/mol
Exact Mass339.07
IUPAC Name3-methyl-6-[(3S)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridazine
SMILESCc1ccc(O[C@H]2CCN(S(=O)(=O)c3ccc(C)s3)C2)nn1
InChIInChI=1S/C14H17N3O3S2/c1-10-3-5-13(16-15-10)20-12-7-8-17(9-12)22(18,19)14-6-4-11(2)21-14/h3-6,12H,7-9H2,1-2H3/t12-/m0/s1
InChIKeySHSUFLPTODHAGL-LBPRGKRZSA-N
XLogP2.00
TPSA72.39 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 ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90636381
3-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-6-methylpyridazine
CID 91627439
3-methyl-6-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine
CID 90638915
3-methyl-6-[1-(4-phenylphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine
CID 90638978
3-methyl-6-[(3S)-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]oxypyridazine
CID 100629708
3,5-dimethyl-4-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]sulfonyl-1,2-oxazole
CID 100629745
4-[(3R)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]sulfonylbenzonitrile
CID 100630089
3-(cyclopropylmethoxy)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine
CID 121197707
3-[1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-6-methylpyridazine
CID 90638929
8-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]sulfonylquinoline
CID 91627435
5-[(3R)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one
CID 100630109
3-methyl-6-(1-methylpyrrolidin-3-yl)oxypyridazine
CID 126953957

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[(3S)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridazine?
The IUPAC name of 3-methyl-6-[(3S)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridazine (CID 100629815) is 3-methyl-6-[(3S)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridazine.
What is the SMILES notation for 3-methyl-6-[(3S)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridazine?
The canonical SMILES for 3-methyl-6-[(3S)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridazine is Cc1ccc(O[C@H]2CCN(S(=O)(=O)c3ccc(C)s3)C2)nn1.
What is the InChIKey of 3-methyl-6-[(3S)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridazine?
The InChIKey is SHSUFLPTODHAGL-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H17N3O3S2/c1-10-3-5-13(16-15-10)20-12-7-8-17(9-12)22(18,19)14-6-4-11(2)21-14/h3-6,12H,7-9H2,1-2H3/t12-/m0/s1.
What are the key properties of 3-methyl-6-[(3S)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridazine?
3-methyl-6-[(3S)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridazine has a molecular weight of 339.44 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[(3S)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridazine is sourced from PubChem (CID 100629815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).