1-(5-methyl-4-sulfanylidene-1H-pyrimidin-6-yl)piperidin-4-one

C10H13N3OS — CID 123880020

IUPAC1-(5-methyl-4-sulfanylidene-1H-pyrimidin-6-yl)piperidin-4-one
SMILESCc1c(N2CCC(=O)CC2)[nH]cnc1=S
InChIInChI=1S/C10H13N3OS/c1-7-9(11-6-12-10(7)15)13-4-2-8(14)3-5-13/h6H,2-5H2,1H3,(H,11,12,15)
InChIKeyOYNJIYOOGCGFLP-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.62
Rot. Bonds1

About 1-(5-methyl-4-sulfanylidene-1H-pyrimidin-6-yl)piperidin-4-one

1-(5-methyl-4-sulfanylidene-1H-pyrimidin-6-yl)piperidin-4-one (PubChem CID 123880020) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is 1-(5-methyl-4-sulfanylidene-1H-pyrimidin-6-yl)piperidin-4-one.

Molecular Properties

Compound Name1-(5-methyl-4-sulfanylidene-1H-pyrimidin-6-yl)piperidin-4-one
PubChem CID123880020
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name1-(5-methyl-4-sulfanylidene-1H-pyrimidin-6-yl)piperidin-4-one
SMILESCc1c(N2CCC(=O)CC2)[nH]cnc1=S
InChIInChI=1S/C10H13N3OS/c1-7-9(11-6-12-10(7)15)13-4-2-8(14)3-5-13/h6H,2-5H2,1H3,(H,11,12,15)
InChIKeyOYNJIYOOGCGFLP-UHFFFAOYSA-N
XLogP1.62
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-4-sulfanylidene-1H-pyrimidin-6-yl)piperidin-4-one?
The IUPAC name of 1-(5-methyl-4-sulfanylidene-1H-pyrimidin-6-yl)piperidin-4-one (CID 123880020) is 1-(5-methyl-4-sulfanylidene-1H-pyrimidin-6-yl)piperidin-4-one.
What is the SMILES notation for 1-(5-methyl-4-sulfanylidene-1H-pyrimidin-6-yl)piperidin-4-one?
The canonical SMILES for 1-(5-methyl-4-sulfanylidene-1H-pyrimidin-6-yl)piperidin-4-one is Cc1c(N2CCC(=O)CC2)[nH]cnc1=S.
What is the InChIKey of 1-(5-methyl-4-sulfanylidene-1H-pyrimidin-6-yl)piperidin-4-one?
The InChIKey is OYNJIYOOGCGFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-7-9(11-6-12-10(7)15)13-4-2-8(14)3-5-13/h6H,2-5H2,1H3,(H,11,12,15).
What are the key properties of 1-(5-methyl-4-sulfanylidene-1H-pyrimidin-6-yl)piperidin-4-one?
1-(5-methyl-4-sulfanylidene-1H-pyrimidin-6-yl)piperidin-4-one has a molecular weight of 223.30 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-4-sulfanylidene-1H-pyrimidin-6-yl)piperidin-4-one is sourced from PubChem (CID 123880020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).