8-(4-methylphenyl)sulfonyl-3,4,7,9-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-6-one

C14H17N3O3S — CID 46847174

IUPAC8-(4-methylphenyl)sulfonyl-3,4,7,9-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-6-one
SMILESCc1ccc(S(=O)(=O)N2CC(=O)N3CCCN=C3C2)cc1
InChIInChI=1S/C14H17N3O3S/c1-11-3-5-12(6-4-11)21(19,20)16-9-13-15-7-2-8-17(13)14(18)10-16/h3-6H,2,7-10H2,1H3
InChIKeyUIJUYYJNKDJCJV-UHFFFAOYSA-N
MW307.38 g/mol
LogP0.63
Rot. Bonds2

About 8-(4-methylphenyl)sulfonyl-3,4,7,9-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-6-one

8-(4-methylphenyl)sulfonyl-3,4,7,9-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-6-one (PubChem CID 46847174) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 8-(4-methylphenyl)sulfonyl-3,4,7,9-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-6-one.

Molecular Properties

Compound Name8-(4-methylphenyl)sulfonyl-3,4,7,9-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-6-one
PubChem CID46847174
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name8-(4-methylphenyl)sulfonyl-3,4,7,9-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-6-one
SMILESCc1ccc(S(=O)(=O)N2CC(=O)N3CCCN=C3C2)cc1
InChIInChI=1S/C14H17N3O3S/c1-11-3-5-12(6-4-11)21(19,20)16-9-13-15-7-2-8-17(13)14(18)10-16/h3-6H,2,7-10H2,1H3
InChIKeyUIJUYYJNKDJCJV-UHFFFAOYSA-N
XLogP0.63
TPSA70.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(4-methylphenyl)sulfonyl-3,4,7,9-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-6-one?
The IUPAC name of 8-(4-methylphenyl)sulfonyl-3,4,7,9-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-6-one (CID 46847174) is 8-(4-methylphenyl)sulfonyl-3,4,7,9-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-6-one.
What is the SMILES notation for 8-(4-methylphenyl)sulfonyl-3,4,7,9-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-6-one?
The canonical SMILES for 8-(4-methylphenyl)sulfonyl-3,4,7,9-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-6-one is Cc1ccc(S(=O)(=O)N2CC(=O)N3CCCN=C3C2)cc1.
What is the InChIKey of 8-(4-methylphenyl)sulfonyl-3,4,7,9-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-6-one?
The InChIKey is UIJUYYJNKDJCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-11-3-5-12(6-4-11)21(19,20)16-9-13-15-7-2-8-17(13)14(18)10-16/h3-6H,2,7-10H2,1H3.
What are the key properties of 8-(4-methylphenyl)sulfonyl-3,4,7,9-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-6-one?
8-(4-methylphenyl)sulfonyl-3,4,7,9-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-6-one has a molecular weight of 307.38 g/mol, XLogP of 0.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methylphenyl)sulfonyl-3,4,7,9-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-6-one is sourced from PubChem (CID 46847174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).