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

C18H20FN3O3S — CID 92565541

IUPAC(8R)-1'-(4-fluorophenyl)sulfonyl-2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,3'-piperidine]
SMILESCc1ncc2c(n1)[C@]1(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/t18-/m1/s1
InChIKeySELKSUXZYJYTNH-GOSISDBHSA-N
MW377.44 g/mol
LogP2.18
Rot. Bonds2

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

(8R)-1'-(4-fluorophenyl)sulfonyl-2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,3'-piperidine] (PubChem CID 92565541) has the molecular formula C18H20FN3O3S and a molecular weight of 377.44 g/mol. Its IUPAC name is (8R)-1'-(4-fluorophenyl)sulfonyl-2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,3'-piperidine].

Molecular Properties

Compound Name(8R)-1'-(4-fluorophenyl)sulfonyl-2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,3'-piperidine]
PubChem CID92565541
Molecular FormulaC18H20FN3O3S
Molecular Weight377.44 g/mol
Exact Mass377.12
IUPAC Name(8R)-1'-(4-fluorophenyl)sulfonyl-2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,3'-piperidine]
SMILESCc1ncc2c(n1)[C@]1(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/t18-/m1/s1
InChIKeySELKSUXZYJYTNH-GOSISDBHSA-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

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

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Related Compounds

1'-(4-fluorophenyl)sulfonyl-2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,3'-piperidine]
CID 110224054
3-ethyl-6-[(8S)-2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,3'-piperidine]-1'-yl]sulfonyl-1,3-benzoxazol-2-one
CID 92589782
(8S)-1'-(1-ethylpyrazol-4-yl)sulfonyl-2-propan-2-ylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,3'-piperidine]
CID 92590187
2-hydroxy-5-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)sulfonylbenzoic acid
CID 164689057
2-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)sulfonylbenzoic acid
CID 135104277
4-[[(5S)-2-(4-fluorophenyl)sulfonyl-2,9-diazaspiro[4.5]decan-9-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 97483085
N-benzyl-N,2-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-sulfonamide
CID 135103567
4-[(3R)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-2-methylpyrimidine
CID 125006109
1-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-2-morpholin-4-ylethanone
CID 163312732
(5S)-2-(4-fluorophenyl)sulfonyl-9-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decane
CID 97483247
(3R)-1-(4-fluorophenyl)sulfonyl-3-(5-methyl-1H-imidazol-2-yl)piperidine
CID 124953145
[4-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-2-methylpyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 92637769

Frequently Asked Questions

What is the IUPAC name of (8R)-1'-(4-fluorophenyl)sulfonyl-2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,3'-piperidine]?
The IUPAC name of (8R)-1'-(4-fluorophenyl)sulfonyl-2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,3'-piperidine] (CID 92565541) is (8R)-1'-(4-fluorophenyl)sulfonyl-2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,3'-piperidine].
What is the SMILES notation for (8R)-1'-(4-fluorophenyl)sulfonyl-2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,3'-piperidine]?
The canonical SMILES for (8R)-1'-(4-fluorophenyl)sulfonyl-2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,3'-piperidine] is Cc1ncc2c(n1)[C@]1(CCCN(S(=O)(=O)c3ccc(F)cc3)C1)OCC2.
What is the InChIKey of (8R)-1'-(4-fluorophenyl)sulfonyl-2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,3'-piperidine]?
The InChIKey is SELKSUXZYJYTNH-GOSISDBHSA-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/t18-/m1/s1.
What are the key properties of (8R)-1'-(4-fluorophenyl)sulfonyl-2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,3'-piperidine]?
(8R)-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 (8R)-1'-(4-fluorophenyl)sulfonyl-2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,3'-piperidine] is sourced from PubChem (CID 92565541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).