8-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-7H-purine-2,6-diamine

C16H18FN7O2S — CID 22563748

IUPAC8-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-7H-purine-2,6-diamine
SMILESNc1nc(N)c2[nH]c(C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)nc2n1
InChIInChI=1S/C16H18FN7O2S/c17-10-1-3-11(4-2-10)27(25,26)24-7-5-9(6-8-24)14-20-12-13(18)21-16(19)23-15(12)22-14/h1-4,9H,5-8H2,(H5,18,19,20,21,22,23)
InChIKeyIDDPVLBMIGFHIY-UHFFFAOYSA-N
MW391.43 g/mol
LogP1.22
Rot. Bonds3

About 8-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-7H-purine-2,6-diamine

8-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-7H-purine-2,6-diamine (PubChem CID 22563748) has the molecular formula C16H18FN7O2S and a molecular weight of 391.43 g/mol. Its IUPAC name is 8-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-7H-purine-2,6-diamine.

Molecular Properties

Compound Name8-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-7H-purine-2,6-diamine
PubChem CID22563748
Molecular FormulaC16H18FN7O2S
Molecular Weight391.43 g/mol
Exact Mass391.12
IUPAC Name8-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-7H-purine-2,6-diamine
SMILESNc1nc(N)c2[nH]c(C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)nc2n1
InChIInChI=1S/C16H18FN7O2S/c17-10-1-3-11(4-2-10)27(25,26)24-7-5-9(6-8-24)14-20-12-13(18)21-16(19)23-15(12)22-14/h1-4,9H,5-8H2,(H5,18,19,20,21,22,23)
InChIKeyIDDPVLBMIGFHIY-UHFFFAOYSA-N
XLogP1.22
TPSA143.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-7H-purine-2,6-diamine?
The IUPAC name of 8-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-7H-purine-2,6-diamine (CID 22563748) is 8-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-7H-purine-2,6-diamine.
What is the SMILES notation for 8-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-7H-purine-2,6-diamine?
The canonical SMILES for 8-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-7H-purine-2,6-diamine is Nc1nc(N)c2[nH]c(C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)nc2n1.
What is the InChIKey of 8-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-7H-purine-2,6-diamine?
The InChIKey is IDDPVLBMIGFHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN7O2S/c17-10-1-3-11(4-2-10)27(25,26)24-7-5-9(6-8-24)14-20-12-13(18)21-16(19)23-15(12)22-14/h1-4,9H,5-8H2,(H5,18,19,20,21,22,23).
What are the key properties of 8-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-7H-purine-2,6-diamine?
8-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-7H-purine-2,6-diamine has a molecular weight of 391.43 g/mol, XLogP of 1.22, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-7H-purine-2,6-diamine is sourced from PubChem (CID 22563748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).