1-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)piperidin-2-one

C12H13N3OS2 — CID 75501124

IUPAC1-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)piperidin-2-one
SMILESO=C1CCCCN1CSc1ncnc2ccsc12
InChIInChI=1S/C12H13N3OS2/c16-10-3-1-2-5-15(10)8-18-12-11-9(4-6-17-11)13-7-14-12/h4,6-7H,1-3,5,8H2
InChIKeyIDQXLQJYEXJVFJ-UHFFFAOYSA-N
MW279.39 g/mol
LogP2.75
Rot. Bonds3

About 1-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)piperidin-2-one

1-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)piperidin-2-one (PubChem CID 75501124) has the molecular formula C12H13N3OS2 and a molecular weight of 279.39 g/mol. Its IUPAC name is 1-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)piperidin-2-one.

Molecular Properties

Compound Name1-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)piperidin-2-one
PubChem CID75501124
Molecular FormulaC12H13N3OS2
Molecular Weight279.39 g/mol
Exact Mass279.05
IUPAC Name1-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)piperidin-2-one
SMILESO=C1CCCCN1CSc1ncnc2ccsc12
InChIInChI=1S/C12H13N3OS2/c16-10-3-1-2-5-15(10)8-18-12-11-9(4-6-17-11)13-7-14-12/h4,6-7H,1-3,5,8H2
InChIKeyIDQXLQJYEXJVFJ-UHFFFAOYSA-N
XLogP2.75
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)piperidin-2-one?
The IUPAC name of 1-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)piperidin-2-one (CID 75501124) is 1-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)piperidin-2-one.
What is the SMILES notation for 1-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)piperidin-2-one?
The canonical SMILES for 1-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)piperidin-2-one is O=C1CCCCN1CSc1ncnc2ccsc12.
What is the InChIKey of 1-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)piperidin-2-one?
The InChIKey is IDQXLQJYEXJVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS2/c16-10-3-1-2-5-15(10)8-18-12-11-9(4-6-17-11)13-7-14-12/h4,6-7H,1-3,5,8H2.
What are the key properties of 1-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)piperidin-2-one?
1-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)piperidin-2-one has a molecular weight of 279.39 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)piperidin-2-one is sourced from PubChem (CID 75501124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).