[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone

C15H22N4O2S — CID 155975861

IUPAC[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone
SMILESCSc1nccc(N2CCCC(C(=O)N3CCOCC3)C2)n1
InChIInChI=1S/C15H22N4O2S/c1-22-15-16-5-4-13(17-15)19-6-2-3-12(11-19)14(20)18-7-9-21-10-8-18/h4-5,12H,2-3,6-11H2,1H3
InChIKeyYUUFJXAFIJCNPN-UHFFFAOYSA-N
MW322.43 g/mol
LogP1.27
Rot. Bonds3

About [1-(2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone

[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 155975861) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is [1-(2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone
PubChem CID155975861
Molecular FormulaC15H22N4O2S
Molecular Weight322.43 g/mol
Exact Mass322.15
IUPAC Name[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone
SMILESCSc1nccc(N2CCCC(C(=O)N3CCOCC3)C2)n1
InChIInChI=1S/C15H22N4O2S/c1-22-15-16-5-4-13(17-15)19-6-2-3-12(11-19)14(20)18-7-9-21-10-8-18/h4-5,12H,2-3,6-11H2,1H3
InChIKeyYUUFJXAFIJCNPN-UHFFFAOYSA-N
XLogP1.27
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone (CID 155975861) is [1-(2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone is CSc1nccc(N2CCCC(C(=O)N3CCOCC3)C2)n1.
What is the InChIKey of [1-(2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is YUUFJXAFIJCNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2S/c1-22-15-16-5-4-13(17-15)19-6-2-3-12(11-19)14(20)18-7-9-21-10-8-18/h4-5,12H,2-3,6-11H2,1H3.
What are the key properties of [1-(2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone?
[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 322.43 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 155975861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).