5-phenyl-N-(1-propylsulfonylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine

C20H24N4O2S2 — CID 60503194

IUPAC5-phenyl-N-(1-propylsulfonylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCCS(=O)(=O)N1CCC(Nc2ncnc3scc(-c4ccccc4)c23)CC1
InChIInChI=1S/C20H24N4O2S2/c1-2-12-28(25,26)24-10-8-16(9-11-24)23-19-18-17(15-6-4-3-5-7-15)13-27-20(18)22-14-21-19/h3-7,13-14,16H,2,8-12H2,1H3,(H,21,22,23)
InChIKeyUULIGBVGOSXBMO-UHFFFAOYSA-N
MW416.57 g/mol
LogP3.97
Rot. Bonds6

About 5-phenyl-N-(1-propylsulfonylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine

5-phenyl-N-(1-propylsulfonylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 60503194) has the molecular formula C20H24N4O2S2 and a molecular weight of 416.57 g/mol. Its IUPAC name is 5-phenyl-N-(1-propylsulfonylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-phenyl-N-(1-propylsulfonylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID60503194
Molecular FormulaC20H24N4O2S2
Molecular Weight416.57 g/mol
Exact Mass416.13
IUPAC Name5-phenyl-N-(1-propylsulfonylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCCS(=O)(=O)N1CCC(Nc2ncnc3scc(-c4ccccc4)c23)CC1
InChIInChI=1S/C20H24N4O2S2/c1-2-12-28(25,26)24-10-8-16(9-11-24)23-19-18-17(15-6-4-3-5-7-15)13-27-20(18)22-14-21-19/h3-7,13-14,16H,2,8-12H2,1H3,(H,21,22,23)
InChIKeyUULIGBVGOSXBMO-UHFFFAOYSA-N
XLogP3.97
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-(1-propylsulfonylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-phenyl-N-(1-propylsulfonylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine (CID 60503194) is 5-phenyl-N-(1-propylsulfonylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-phenyl-N-(1-propylsulfonylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-phenyl-N-(1-propylsulfonylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine is CCCS(=O)(=O)N1CCC(Nc2ncnc3scc(-c4ccccc4)c23)CC1.
What is the InChIKey of 5-phenyl-N-(1-propylsulfonylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is UULIGBVGOSXBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S2/c1-2-12-28(25,26)24-10-8-16(9-11-24)23-19-18-17(15-6-4-3-5-7-15)13-27-20(18)22-14-21-19/h3-7,13-14,16H,2,8-12H2,1H3,(H,21,22,23).
What are the key properties of 5-phenyl-N-(1-propylsulfonylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine?
5-phenyl-N-(1-propylsulfonylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 416.57 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-(1-propylsulfonylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 60503194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).