(3-hydroxyphenyl)-(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone

C14H17NO3S — CID 131692208

IUPAC(3-hydroxyphenyl)-(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone
SMILESCOC1CSC2(C1)CN(C(=O)c1cccc(O)c1)C2
InChIInChI=1S/C14H17NO3S/c1-18-12-6-14(19-7-12)8-15(9-14)13(17)10-3-2-4-11(16)5-10/h2-5,12,16H,6-9H2,1H3
InChIKeyBXCJGXPWXDBHHE-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.74
Rot. Bonds2

About (3-hydroxyphenyl)-(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone

(3-hydroxyphenyl)-(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone (PubChem CID 131692208) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is (3-hydroxyphenyl)-(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone.

Molecular Properties

Compound Name(3-hydroxyphenyl)-(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone
PubChem CID131692208
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC Name(3-hydroxyphenyl)-(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone
SMILESCOC1CSC2(C1)CN(C(=O)c1cccc(O)c1)C2
InChIInChI=1S/C14H17NO3S/c1-18-12-6-14(19-7-12)8-15(9-14)13(17)10-3-2-4-11(16)5-10/h2-5,12,16H,6-9H2,1H3
InChIKeyBXCJGXPWXDBHHE-UHFFFAOYSA-N
XLogP1.74
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-hydroxyphenyl)-(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-(1-methylindol-5-yl)methanone
CID 131692294
(3-hydroxyphenyl)-(7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155863891
(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-pyridin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 155839474
[(7S)-7-ethoxy-5-thia-2-azaspiro[3.4]octan-2-yl]-quinolin-6-ylmethanone
CID 124870148
(3-methylphenyl)-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone
CID 131677755
(3-fluorophenyl)-[7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 131677662
3-[7-(pyridin-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octane-2-carbonyl]benzonitrile
CID 131692047
(7-ethoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-(3-fluoro-4-methoxyphenyl)methanone
CID 131661221
(5-chloro-1-benzofuran-2-yl)-[(7S)-7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 124790502
pyridin-3-yl-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone
CID 131678193
1-[(7S)-7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl]-2-(2-methylphenoxy)ethanone
CID 124807830
2-(4-methoxyphenyl)-1-(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)ethanone
CID 131649083

Frequently Asked Questions

What is the IUPAC name of (3-hydroxyphenyl)-(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone?
The IUPAC name of (3-hydroxyphenyl)-(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone (CID 131692208) is (3-hydroxyphenyl)-(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone.
What is the SMILES notation for (3-hydroxyphenyl)-(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone?
The canonical SMILES for (3-hydroxyphenyl)-(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone is COC1CSC2(C1)CN(C(=O)c1cccc(O)c1)C2.
What is the InChIKey of (3-hydroxyphenyl)-(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone?
The InChIKey is BXCJGXPWXDBHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S/c1-18-12-6-14(19-7-12)8-15(9-14)13(17)10-3-2-4-11(16)5-10/h2-5,12,16H,6-9H2,1H3.
What are the key properties of (3-hydroxyphenyl)-(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone?
(3-hydroxyphenyl)-(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone has a molecular weight of 279.36 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxyphenyl)-(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone is sourced from PubChem (CID 131692208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).