(7R)-7-(cyclopropylmethoxy)-2-(5-fluoropyrimidin-2-yl)-5-thia-2-azaspiro[3.4]octane

C14H18FN3OS — CID 124782528

IUPAC(7R)-7-(cyclopropylmethoxy)-2-(5-fluoropyrimidin-2-yl)-5-thia-2-azaspiro[3.4]octane
SMILESFc1cnc(N2CC3(C[C@@H](OCC4CC4)CS3)C2)nc1
InChIInChI=1S/C14H18FN3OS/c15-11-4-16-13(17-5-11)18-8-14(9-18)3-12(7-20-14)19-6-10-1-2-10/h4-5,10,12H,1-3,6-9H2/t12-/m1/s1
InChIKeyHXSUDBJLMLEUQE-GFCCVEGCSA-N
MW295.38 g/mol
LogP2.11
Rot. Bonds4

About (7R)-7-(cyclopropylmethoxy)-2-(5-fluoropyrimidin-2-yl)-5-thia-2-azaspiro[3.4]octane

(7R)-7-(cyclopropylmethoxy)-2-(5-fluoropyrimidin-2-yl)-5-thia-2-azaspiro[3.4]octane (PubChem CID 124782528) has the molecular formula C14H18FN3OS and a molecular weight of 295.38 g/mol. Its IUPAC name is (7R)-7-(cyclopropylmethoxy)-2-(5-fluoropyrimidin-2-yl)-5-thia-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name(7R)-7-(cyclopropylmethoxy)-2-(5-fluoropyrimidin-2-yl)-5-thia-2-azaspiro[3.4]octane
PubChem CID124782528
Molecular FormulaC14H18FN3OS
Molecular Weight295.38 g/mol
Exact Mass295.12
IUPAC Name(7R)-7-(cyclopropylmethoxy)-2-(5-fluoropyrimidin-2-yl)-5-thia-2-azaspiro[3.4]octane
SMILESFc1cnc(N2CC3(C[C@@H](OCC4CC4)CS3)C2)nc1
InChIInChI=1S/C14H18FN3OS/c15-11-4-16-13(17-5-11)18-8-14(9-18)3-12(7-20-14)19-6-10-1-2-10/h4-5,10,12H,1-3,6-9H2/t12-/m1/s1
InChIKeyHXSUDBJLMLEUQE-GFCCVEGCSA-N
XLogP2.11
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (7R)-7-(cyclopropylmethoxy)-2-(5-fluoropyrimidin-2-yl)-5-thia-2-azaspiro[3.4]octane with MolForge

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Related Compounds

7-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octane
CID 131663709
[(7R)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-pyridazin-4-ylmethanone
CID 124790834
[(7R)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(6-methyl-3-pyridinyl)methanone
CID 124815222
[7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-pyridin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 155861809
(7R)-7-(cyclopropylmethoxy)-2-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-5-thia-2-azaspiro[3.4]octane
CID 124810098
7-(cyclopropylmethoxy)-N,N-dimethyl-5-thia-2-azaspiro[3.4]octane-2-carboxamide
CID 131661234
(7S)-2-[(2-fluorophenyl)methyl]-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octane
CID 124783024
7-pyridin-3-yloxy-2-pyrimidin-2-yl-5-thia-2-azaspiro[3.4]octane
CID 133140244
(8R)-8-(cyclopropylmethoxy)-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane
CID 124804313
[(7S)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone
CID 124793702
(7R)-7-(oxan-4-ylmethoxy)-2-(pyridin-4-ylmethyl)-5-thia-2-azaspiro[3.4]octane
CID 124788879
(3-fluorophenyl)-[7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 131677662

Frequently Asked Questions

What is the IUPAC name of (7R)-7-(cyclopropylmethoxy)-2-(5-fluoropyrimidin-2-yl)-5-thia-2-azaspiro[3.4]octane?
The IUPAC name of (7R)-7-(cyclopropylmethoxy)-2-(5-fluoropyrimidin-2-yl)-5-thia-2-azaspiro[3.4]octane (CID 124782528) is (7R)-7-(cyclopropylmethoxy)-2-(5-fluoropyrimidin-2-yl)-5-thia-2-azaspiro[3.4]octane.
What is the SMILES notation for (7R)-7-(cyclopropylmethoxy)-2-(5-fluoropyrimidin-2-yl)-5-thia-2-azaspiro[3.4]octane?
The canonical SMILES for (7R)-7-(cyclopropylmethoxy)-2-(5-fluoropyrimidin-2-yl)-5-thia-2-azaspiro[3.4]octane is Fc1cnc(N2CC3(C[C@@H](OCC4CC4)CS3)C2)nc1.
What is the InChIKey of (7R)-7-(cyclopropylmethoxy)-2-(5-fluoropyrimidin-2-yl)-5-thia-2-azaspiro[3.4]octane?
The InChIKey is HXSUDBJLMLEUQE-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H18FN3OS/c15-11-4-16-13(17-5-11)18-8-14(9-18)3-12(7-20-14)19-6-10-1-2-10/h4-5,10,12H,1-3,6-9H2/t12-/m1/s1.
What are the key properties of (7R)-7-(cyclopropylmethoxy)-2-(5-fluoropyrimidin-2-yl)-5-thia-2-azaspiro[3.4]octane?
(7R)-7-(cyclopropylmethoxy)-2-(5-fluoropyrimidin-2-yl)-5-thia-2-azaspiro[3.4]octane has a molecular weight of 295.38 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-(cyclopropylmethoxy)-2-(5-fluoropyrimidin-2-yl)-5-thia-2-azaspiro[3.4]octane is sourced from PubChem (CID 124782528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).