[(7R)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-pyridazin-4-ylmethanone

C15H19N3O2S — CID 124790834

IUPAC[(7R)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-pyridazin-4-ylmethanone
SMILESO=C(c1ccnnc1)N1CC2(C[C@@H](OCC3CC3)CS2)C1
InChIInChI=1S/C15H19N3O2S/c19-14(12-3-4-16-17-6-12)18-9-15(10-18)5-13(8-21-15)20-7-11-1-2-11/h3-4,6,11,13H,1-2,5,7-10H2/t13-/m1/s1
InChIKeyFDYJFGZWYKAEEE-CYBMUJFWSA-N
MW305.40 g/mol
LogP1.60
Rot. Bonds4

About [(7R)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-pyridazin-4-ylmethanone

[(7R)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-pyridazin-4-ylmethanone (PubChem CID 124790834) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is [(7R)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-pyridazin-4-ylmethanone.

Molecular Properties

Compound Name[(7R)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-pyridazin-4-ylmethanone
PubChem CID124790834
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name[(7R)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-pyridazin-4-ylmethanone
SMILESO=C(c1ccnnc1)N1CC2(C[C@@H](OCC3CC3)CS2)C1
InChIInChI=1S/C15H19N3O2S/c19-14(12-3-4-16-17-6-12)18-9-15(10-18)5-13(8-21-15)20-7-11-1-2-11/h3-4,6,11,13H,1-2,5,7-10H2/t13-/m1/s1
InChIKeyFDYJFGZWYKAEEE-CYBMUJFWSA-N
XLogP1.60
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(7R)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-pyridazin-4-ylmethanone with MolForge

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Launch Full Analysis

Related Compounds

[(7R)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(6-methyl-3-pyridinyl)methanone
CID 124815222
[(7R)-7-(cyclopentylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-pyridin-3-ylmethanone
CID 124787822
[7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-pyridin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 155861809
[7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-pyridin-4-ylmethanone
CID 131662707
[(7S)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone
CID 124789517
[(7S)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(2-methylfuran-3-yl)methanone
CID 124806536
(4-ethylphenyl)-[7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 131640358
[(7S)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone
CID 124793702
(3,5-dimethylphenyl)-[(7R)-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 124796560
(3-fluorophenyl)-[7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 131677662
[7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 131658713
7-(cyclopropylmethoxy)-N,N-dimethyl-5-thia-2-azaspiro[3.4]octane-2-carboxamide
CID 131661234

Frequently Asked Questions

What is the IUPAC name of [(7R)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-pyridazin-4-ylmethanone?
The IUPAC name of [(7R)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-pyridazin-4-ylmethanone (CID 124790834) is [(7R)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-pyridazin-4-ylmethanone.
What is the SMILES notation for [(7R)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-pyridazin-4-ylmethanone?
The canonical SMILES for [(7R)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-pyridazin-4-ylmethanone is O=C(c1ccnnc1)N1CC2(C[C@@H](OCC3CC3)CS2)C1.
What is the InChIKey of [(7R)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-pyridazin-4-ylmethanone?
The InChIKey is FDYJFGZWYKAEEE-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H19N3O2S/c19-14(12-3-4-16-17-6-12)18-9-15(10-18)5-13(8-21-15)20-7-11-1-2-11/h3-4,6,11,13H,1-2,5,7-10H2/t13-/m1/s1.
What are the key properties of [(7R)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-pyridazin-4-ylmethanone?
[(7R)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-pyridazin-4-ylmethanone has a molecular weight of 305.40 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(7R)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-pyridazin-4-ylmethanone is sourced from PubChem (CID 124790834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).