3-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylthieno[3,2-d]pyrimidin-4-one

C14H17N3O2S2 — CID 33336679

IUPAC3-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylthieno[3,2-d]pyrimidin-4-one
SMILESCn1c(SCC(=O)N2CCCCC2)nc2ccsc2c1=O
InChIInChI=1S/C14H17N3O2S2/c1-16-13(19)12-10(5-8-20-12)15-14(16)21-9-11(18)17-6-3-2-4-7-17/h5,8H,2-4,6-7,9H2,1H3
InChIKeyIKJIGOMXGQYYOZ-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.10
Rot. Bonds3

About 3-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylthieno[3,2-d]pyrimidin-4-one

3-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylthieno[3,2-d]pyrimidin-4-one (PubChem CID 33336679) has the molecular formula C14H17N3O2S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 3-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylthieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylthieno[3,2-d]pyrimidin-4-one
PubChem CID33336679
Molecular FormulaC14H17N3O2S2
Molecular Weight323.44 g/mol
Exact Mass323.08
IUPAC Name3-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylthieno[3,2-d]pyrimidin-4-one
SMILESCn1c(SCC(=O)N2CCCCC2)nc2ccsc2c1=O
InChIInChI=1S/C14H17N3O2S2/c1-16-13(19)12-10(5-8-20-12)15-14(16)21-9-11(18)17-6-3-2-4-7-17/h5,8H,2-4,6-7,9H2,1H3
InChIKeyIKJIGOMXGQYYOZ-UHFFFAOYSA-N
XLogP2.10
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylthieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylthieno[3,2-d]pyrimidin-4-one (CID 33336679) is 3-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylthieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylthieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylthieno[3,2-d]pyrimidin-4-one is Cn1c(SCC(=O)N2CCCCC2)nc2ccsc2c1=O.
What is the InChIKey of 3-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylthieno[3,2-d]pyrimidin-4-one?
The InChIKey is IKJIGOMXGQYYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S2/c1-16-13(19)12-10(5-8-20-12)15-14(16)21-9-11(18)17-6-3-2-4-7-17/h5,8H,2-4,6-7,9H2,1H3.
What are the key properties of 3-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylthieno[3,2-d]pyrimidin-4-one?
3-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylthieno[3,2-d]pyrimidin-4-one has a molecular weight of 323.44 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylthieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 33336679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).