[(7R)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(oxan-4-yl)methanone

C16H25NO3S — CID 124791159

IUPAC[(7R)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(oxan-4-yl)methanone
SMILESO=C(C1CCOCC1)N1CC2(C[C@@H](OCC3CC3)CS2)C1
InChIInChI=1S/C16H25NO3S/c18-15(13-3-5-19-6-4-13)17-10-16(11-17)7-14(9-21-16)20-8-12-1-2-12/h12-14H,1-11H2/t14-/m1/s1
InChIKeyGDQSHWYBRZXTDB-CQSZACIVSA-N
MW311.45 g/mol
LogP1.93
Rot. Bonds4

About [(7R)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(oxan-4-yl)methanone

[(7R)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(oxan-4-yl)methanone (PubChem CID 124791159) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is [(7R)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[(7R)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(oxan-4-yl)methanone
PubChem CID124791159
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC Name[(7R)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(oxan-4-yl)methanone
SMILESO=C(C1CCOCC1)N1CC2(C[C@@H](OCC3CC3)CS2)C1
InChIInChI=1S/C16H25NO3S/c18-15(13-3-5-19-6-4-13)17-10-16(11-17)7-14(9-21-16)20-8-12-1-2-12/h12-14H,1-11H2/t14-/m1/s1
InChIKeyGDQSHWYBRZXTDB-CQSZACIVSA-N
XLogP1.93
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(7R)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(oxan-4-yl)methanone with MolForge

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Related Compounds

N,N-dimethyl-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octane-2-carboxamide
CID 131647599
2-methoxy-1-[(7R)-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone
CID 124792404
2-ethoxy-1-[7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone
CID 131692247
[7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-pyridin-4-ylmethanone
CID 131662707
7-(cyclopropylmethoxy)-N,N-dimethyl-5-thia-2-azaspiro[3.4]octane-2-carboxamide
CID 131661234
(3,5-dimethylphenyl)-[(7R)-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 124796560
2-(4-methylphenyl)-1-[(7R)-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone
CID 124792912
2-(dimethylamino)-1-[7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155843518
(5-methylfuran-2-yl)-[7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 131648180
[(7S)-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(1,3-thiazol-4-yl)methanone
CID 124796712
(4-ethylphenyl)-[7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 131640358
2-(2-fluorophenyl)-1-[(7S)-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone
CID 124794031

Frequently Asked Questions

What is the IUPAC name of [(7R)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(oxan-4-yl)methanone?
The IUPAC name of [(7R)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(oxan-4-yl)methanone (CID 124791159) is [(7R)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [(7R)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [(7R)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(oxan-4-yl)methanone is O=C(C1CCOCC1)N1CC2(C[C@@H](OCC3CC3)CS2)C1.
What is the InChIKey of [(7R)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(oxan-4-yl)methanone?
The InChIKey is GDQSHWYBRZXTDB-CQSZACIVSA-N. The full InChI is InChI=1S/C16H25NO3S/c18-15(13-3-5-19-6-4-13)17-10-16(11-17)7-14(9-21-16)20-8-12-1-2-12/h12-14H,1-11H2/t14-/m1/s1.
What are the key properties of [(7R)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(oxan-4-yl)methanone?
[(7R)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(oxan-4-yl)methanone has a molecular weight of 311.45 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(7R)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(oxan-4-yl)methanone is sourced from PubChem (CID 124791159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).