1-(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-2-methylsulfonylethanone

C10H17NO4S2 — CID 131639249

IUPAC1-(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-2-methylsulfonylethanone
SMILESCOC1CSC2(C1)CN(C(=O)CS(C)(=O)=O)C2
InChIInChI=1S/C10H17NO4S2/c1-15-8-3-10(16-4-8)6-11(7-10)9(12)5-17(2,13)14/h8H,3-7H2,1-2H3
InChIKeyNSWXDRQSNUZBLP-UHFFFAOYSA-N
MW279.38 g/mol
LogP-0.24
Rot. Bonds3

About 1-(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-2-methylsulfonylethanone

1-(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-2-methylsulfonylethanone (PubChem CID 131639249) has the molecular formula C10H17NO4S2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-2-methylsulfonylethanone.

Molecular Properties

Compound Name1-(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-2-methylsulfonylethanone
PubChem CID131639249
Molecular FormulaC10H17NO4S2
Molecular Weight279.38 g/mol
Exact Mass279.06
IUPAC Name1-(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-2-methylsulfonylethanone
SMILESCOC1CSC2(C1)CN(C(=O)CS(C)(=O)=O)C2
InChIInChI=1S/C10H17NO4S2/c1-15-8-3-10(16-4-8)6-11(7-10)9(12)5-17(2,13)14/h8H,3-7H2,1-2H3
InChIKeyNSWXDRQSNUZBLP-UHFFFAOYSA-N
XLogP-0.24
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 5-0.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(7S)-7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl]-2-(2-methylphenoxy)ethanone
CID 124807830
(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-pyrimidin-2-ylmethanone
CID 131647950
2-(3,4-dihydro-2H-chromen-6-yl)-1-(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)ethanone
CID 131692216
1-[(3R)-3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-methylsulfonylethanone
CID 97423008
2-methoxy-1-[(7R)-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone
CID 124792404
(3-hydroxyphenyl)-(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone
CID 131692208
(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-(3-methyl-5-propyl-1,2-oxazol-4-yl)methanone
CID 131692295
7-(cyclopropylmethoxy)-N,N-dimethyl-5-thia-2-azaspiro[3.4]octane-2-carboxamide
CID 131661234
(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-pyridin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 155839474
(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-(1-methylindol-5-yl)methanone
CID 131692294
2-ethoxy-1-[7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone
CID 131692247
2-methoxy-1-[7-(pyridin-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone
CID 131692469

Frequently Asked Questions

What is the IUPAC name of 1-(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-2-methylsulfonylethanone?
The IUPAC name of 1-(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-2-methylsulfonylethanone (CID 131639249) is 1-(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-2-methylsulfonylethanone.
What is the SMILES notation for 1-(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-2-methylsulfonylethanone?
The canonical SMILES for 1-(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-2-methylsulfonylethanone is COC1CSC2(C1)CN(C(=O)CS(C)(=O)=O)C2.
What is the InChIKey of 1-(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-2-methylsulfonylethanone?
The InChIKey is NSWXDRQSNUZBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4S2/c1-15-8-3-10(16-4-8)6-11(7-10)9(12)5-17(2,13)14/h8H,3-7H2,1-2H3.
What are the key properties of 1-(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-2-methylsulfonylethanone?
1-(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-2-methylsulfonylethanone has a molecular weight of 279.38 g/mol, XLogP of -0.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-2-methylsulfonylethanone is sourced from PubChem (CID 131639249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).