(6-methoxypyridazin-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone

C14H18N2O3S — CID 103373092

IUPAC(6-methoxypyridazin-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
SMILESCOc1ccc(C(=O)C2CCOC3(CCSC3)C2)nn1
InChIInChI=1S/C14H18N2O3S/c1-18-12-3-2-11(15-16-12)13(17)10-4-6-19-14(8-10)5-7-20-9-14/h2-3,10H,4-9H2,1H3
InChIKeyLHKWLKVEAGEUPJ-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.97
Rot. Bonds3

About (6-methoxypyridazin-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone

(6-methoxypyridazin-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone (PubChem CID 103373092) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is (6-methoxypyridazin-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone.

Molecular Properties

Compound Name(6-methoxypyridazin-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
PubChem CID103373092
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name(6-methoxypyridazin-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
SMILESCOc1ccc(C(=O)C2CCOC3(CCSC3)C2)nn1
InChIInChI=1S/C14H18N2O3S/c1-18-12-3-2-11(15-16-12)13(17)10-4-6-19-14(8-10)5-7-20-9-14/h2-3,10H,4-9H2,1H3
InChIKeyLHKWLKVEAGEUPJ-UHFFFAOYSA-N
XLogP1.97
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6-methoxypyridazin-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone?
The IUPAC name of (6-methoxypyridazin-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone (CID 103373092) is (6-methoxypyridazin-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone.
What is the SMILES notation for (6-methoxypyridazin-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone?
The canonical SMILES for (6-methoxypyridazin-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone is COc1ccc(C(=O)C2CCOC3(CCSC3)C2)nn1.
What is the InChIKey of (6-methoxypyridazin-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone?
The InChIKey is LHKWLKVEAGEUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-18-12-3-2-11(15-16-12)13(17)10-4-6-19-14(8-10)5-7-20-9-14/h2-3,10H,4-9H2,1H3.
What are the key properties of (6-methoxypyridazin-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone?
(6-methoxypyridazin-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone has a molecular weight of 294.38 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxypyridazin-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone is sourced from PubChem (CID 103373092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).