[(7R)-7-(cyclopentylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-pyridin-3-ylmethanone

C18H24N2O2S — CID 124787822

IUPAC[(7R)-7-(cyclopentylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CC2(C[C@@H](OCC3CCCC3)CS2)C1
InChIInChI=1S/C18H24N2O2S/c21-17(15-6-3-7-19-9-15)20-12-18(13-20)8-16(11-23-18)22-10-14-4-1-2-5-14/h3,6-7,9,14,16H,1-2,4-5,8,10-13H2/t16-/m1/s1
InChIKeyFPVVKBFKNQVNLJ-MRXNPFEDSA-N
MW332.47 g/mol
LogP2.99
Rot. Bonds4

About [(7R)-7-(cyclopentylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-pyridin-3-ylmethanone

[(7R)-7-(cyclopentylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-pyridin-3-ylmethanone (PubChem CID 124787822) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is [(7R)-7-(cyclopentylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[(7R)-7-(cyclopentylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-pyridin-3-ylmethanone
PubChem CID124787822
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC Name[(7R)-7-(cyclopentylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CC2(C[C@@H](OCC3CCCC3)CS2)C1
InChIInChI=1S/C18H24N2O2S/c21-17(15-6-3-7-19-9-15)20-12-18(13-20)8-16(11-23-18)22-10-14-4-1-2-5-14/h3,6-7,9,14,16H,1-2,4-5,8,10-13H2/t16-/m1/s1
InChIKeyFPVVKBFKNQVNLJ-MRXNPFEDSA-N
XLogP2.99
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(7R)-7-(cyclopentylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-pyridin-3-ylmethanone with MolForge

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Launch Full Analysis

Related Compounds

[(7R)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-pyridazin-4-ylmethanone
CID 124790834
pyridin-3-yl-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone
CID 131678193
[(7R)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(6-methyl-3-pyridinyl)methanone
CID 124815222
[7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-pyridin-4-ylmethanone
CID 131662707
[7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-pyridin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 155861809
2-cyclopentyl-1-[(7S)-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone
CID 124795660
(3-fluorophenyl)-[7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 131677662
[(7S)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone
CID 124789517
2-cyclopentyloxy-1-[(7R)-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone
CID 124785892
(2-methoxy-3-pyridinyl)-[(7S)-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 124791148
(2-methoxy-3-pyridinyl)-[(7R)-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 124791149
[(7S)-7-(cyclopentylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 124811680

Frequently Asked Questions

What is the IUPAC name of [(7R)-7-(cyclopentylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-pyridin-3-ylmethanone?
The IUPAC name of [(7R)-7-(cyclopentylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-pyridin-3-ylmethanone (CID 124787822) is [(7R)-7-(cyclopentylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [(7R)-7-(cyclopentylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [(7R)-7-(cyclopentylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-pyridin-3-ylmethanone is O=C(c1cccnc1)N1CC2(C[C@@H](OCC3CCCC3)CS2)C1.
What is the InChIKey of [(7R)-7-(cyclopentylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-pyridin-3-ylmethanone?
The InChIKey is FPVVKBFKNQVNLJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H24N2O2S/c21-17(15-6-3-7-19-9-15)20-12-18(13-20)8-16(11-23-18)22-10-14-4-1-2-5-14/h3,6-7,9,14,16H,1-2,4-5,8,10-13H2/t16-/m1/s1.
What are the key properties of [(7R)-7-(cyclopentylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-pyridin-3-ylmethanone?
[(7R)-7-(cyclopentylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-pyridin-3-ylmethanone has a molecular weight of 332.47 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(7R)-7-(cyclopentylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 124787822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).