(2-methylsulfanyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-pyrrolidin-1-ylmethanone

C17H22N4OS2 — CID 8707373

IUPAC(2-methylsulfanyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-pyrrolidin-1-ylmethanone
SMILESCSc1nc(N2CCCCC2)c2cc(C(=O)N3CCCC3)sc2n1
InChIInChI=1S/C17H22N4OS2/c1-23-17-18-14(20-7-3-2-4-8-20)12-11-13(24-15(12)19-17)16(22)21-9-5-6-10-21/h11H,2-10H2,1H3
InChIKeyLIRFIECISAZKPH-UHFFFAOYSA-N
MW362.52 g/mol
LogP3.64
Rot. Bonds3

About (2-methylsulfanyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-pyrrolidin-1-ylmethanone

(2-methylsulfanyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-pyrrolidin-1-ylmethanone (PubChem CID 8707373) has the molecular formula C17H22N4OS2 and a molecular weight of 362.52 g/mol. Its IUPAC name is (2-methylsulfanyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(2-methylsulfanyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-pyrrolidin-1-ylmethanone
PubChem CID8707373
Molecular FormulaC17H22N4OS2
Molecular Weight362.52 g/mol
Exact Mass362.12
IUPAC Name(2-methylsulfanyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-pyrrolidin-1-ylmethanone
SMILESCSc1nc(N2CCCCC2)c2cc(C(=O)N3CCCC3)sc2n1
InChIInChI=1S/C17H22N4OS2/c1-23-17-18-14(20-7-3-2-4-8-20)12-11-13(24-15(12)19-17)16(22)21-9-5-6-10-21/h11H,2-10H2,1H3
InChIKeyLIRFIECISAZKPH-UHFFFAOYSA-N
XLogP3.64
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-methylsulfanyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (2-methylsulfanyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-pyrrolidin-1-ylmethanone (CID 8707373) is (2-methylsulfanyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (2-methylsulfanyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (2-methylsulfanyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-pyrrolidin-1-ylmethanone is CSc1nc(N2CCCCC2)c2cc(C(=O)N3CCCC3)sc2n1.
What is the InChIKey of (2-methylsulfanyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is LIRFIECISAZKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS2/c1-23-17-18-14(20-7-3-2-4-8-20)12-11-13(24-15(12)19-17)16(22)21-9-5-6-10-21/h11H,2-10H2,1H3.
What are the key properties of (2-methylsulfanyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-pyrrolidin-1-ylmethanone?
(2-methylsulfanyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 362.52 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylsulfanyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 8707373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).