2-(4-methylphthalazin-1-yl)sulfanyl-1-morpholin-4-ylethanone

C15H17N3O2S — CID 6400922

IUPAC2-(4-methylphthalazin-1-yl)sulfanyl-1-morpholin-4-ylethanone
SMILESCc1nnc(SCC(=O)N2CCOCC2)c2ccccc12
InChIInChI=1S/C15H17N3O2S/c1-11-12-4-2-3-5-13(12)15(17-16-11)21-10-14(19)18-6-8-20-9-7-18/h2-5H,6-10H2,1H3
InChIKeyQTAWMDXQYHSYSC-UHFFFAOYSA-N
MW303.39 g/mol
LogP1.89
Rot. Bonds3

About 2-(4-methylphthalazin-1-yl)sulfanyl-1-morpholin-4-ylethanone

2-(4-methylphthalazin-1-yl)sulfanyl-1-morpholin-4-ylethanone (PubChem CID 6400922) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 2-(4-methylphthalazin-1-yl)sulfanyl-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(4-methylphthalazin-1-yl)sulfanyl-1-morpholin-4-ylethanone
PubChem CID6400922
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name2-(4-methylphthalazin-1-yl)sulfanyl-1-morpholin-4-ylethanone
SMILESCc1nnc(SCC(=O)N2CCOCC2)c2ccccc12
InChIInChI=1S/C15H17N3O2S/c1-11-12-4-2-3-5-13(12)15(17-16-11)21-10-14(19)18-6-8-20-9-7-18/h2-5H,6-10H2,1H3
InChIKeyQTAWMDXQYHSYSC-UHFFFAOYSA-N
XLogP1.89
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphthalazin-1-yl)sulfanyl-1-morpholin-4-ylethanone?
The IUPAC name of 2-(4-methylphthalazin-1-yl)sulfanyl-1-morpholin-4-ylethanone (CID 6400922) is 2-(4-methylphthalazin-1-yl)sulfanyl-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(4-methylphthalazin-1-yl)sulfanyl-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(4-methylphthalazin-1-yl)sulfanyl-1-morpholin-4-ylethanone is Cc1nnc(SCC(=O)N2CCOCC2)c2ccccc12.
What is the InChIKey of 2-(4-methylphthalazin-1-yl)sulfanyl-1-morpholin-4-ylethanone?
The InChIKey is QTAWMDXQYHSYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-11-12-4-2-3-5-13(12)15(17-16-11)21-10-14(19)18-6-8-20-9-7-18/h2-5H,6-10H2,1H3.
What are the key properties of 2-(4-methylphthalazin-1-yl)sulfanyl-1-morpholin-4-ylethanone?
2-(4-methylphthalazin-1-yl)sulfanyl-1-morpholin-4-ylethanone has a molecular weight of 303.39 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphthalazin-1-yl)sulfanyl-1-morpholin-4-ylethanone is sourced from PubChem (CID 6400922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).