1'-(4-fluorophenyl)sulfonyl-2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,3'-piperidine]

C18H20FN3O3S — CID 110224054

IUPAC1'-(4-fluorophenyl)sulfonyl-2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,3'-piperidine]
SMILESCc1ncc2c(n1)C1(CCCN(S(=O)(=O)c3ccc(F)cc3)C1)OCC2
InChIInChI=1S/C18H20FN3O3S/c1-13-20-11-14-7-10-25-18(17(14)21-13)8-2-9-22(12-18)26(23,24)16-5-3-15(19)4-6-16/h3-6,11H,2,7-10,12H2,1H3
InChIKeySELKSUXZYJYTNH-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.18
Rot. Bonds2

About 1'-(4-fluorophenyl)sulfonyl-2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,3'-piperidine]

1'-(4-fluorophenyl)sulfonyl-2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,3'-piperidine] (PubChem CID 110224054) has the molecular formula C18H20FN3O3S and a molecular weight of 377.44 g/mol. Its IUPAC name is 1'-(4-fluorophenyl)sulfonyl-2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,3'-piperidine].

Molecular Properties

Compound Name1'-(4-fluorophenyl)sulfonyl-2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,3'-piperidine]
PubChem CID110224054
Molecular FormulaC18H20FN3O3S
Molecular Weight377.44 g/mol
Exact Mass377.12
IUPAC Name1'-(4-fluorophenyl)sulfonyl-2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,3'-piperidine]
SMILESCc1ncc2c(n1)C1(CCCN(S(=O)(=O)c3ccc(F)cc3)C1)OCC2
InChIInChI=1S/C18H20FN3O3S/c1-13-20-11-14-7-10-25-18(17(14)21-13)8-2-9-22(12-18)26(23,24)16-5-3-15(19)4-6-16/h3-6,11H,2,7-10,12H2,1H3
InChIKeySELKSUXZYJYTNH-UHFFFAOYSA-N
XLogP2.18
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1'-(4-fluorophenyl)sulfonyl-2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,3'-piperidine]?
The IUPAC name of 1'-(4-fluorophenyl)sulfonyl-2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,3'-piperidine] (CID 110224054) is 1'-(4-fluorophenyl)sulfonyl-2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,3'-piperidine].
What is the SMILES notation for 1'-(4-fluorophenyl)sulfonyl-2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,3'-piperidine]?
The canonical SMILES for 1'-(4-fluorophenyl)sulfonyl-2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,3'-piperidine] is Cc1ncc2c(n1)C1(CCCN(S(=O)(=O)c3ccc(F)cc3)C1)OCC2.
What is the InChIKey of 1'-(4-fluorophenyl)sulfonyl-2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,3'-piperidine]?
The InChIKey is SELKSUXZYJYTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3S/c1-13-20-11-14-7-10-25-18(17(14)21-13)8-2-9-22(12-18)26(23,24)16-5-3-15(19)4-6-16/h3-6,11H,2,7-10,12H2,1H3.
What are the key properties of 1'-(4-fluorophenyl)sulfonyl-2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,3'-piperidine]?
1'-(4-fluorophenyl)sulfonyl-2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,3'-piperidine] has a molecular weight of 377.44 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(4-fluorophenyl)sulfonyl-2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,3'-piperidine] is sourced from PubChem (CID 110224054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).