[1-(4-methylsulfonylphenyl)cyclobutyl]-(1-oxa-7-azaspiro[3.5]nonan-7-yl)methanone

C19H25NO4S — CID 118796209

IUPAC[1-(4-methylsulfonylphenyl)cyclobutyl]-(1-oxa-7-azaspiro[3.5]nonan-7-yl)methanone
SMILESCS(=O)(=O)c1ccc(C2(C(=O)N3CCC4(CCO4)CC3)CCC2)cc1
InChIInChI=1S/C19H25NO4S/c1-25(22,23)16-5-3-15(4-6-16)19(7-2-8-19)17(21)20-12-9-18(10-13-20)11-14-24-18/h3-6H,2,7-14H2,1H3
InChIKeyGEDKHNDIQNNLOQ-UHFFFAOYSA-N
MW363.48 g/mol
LogP2.29
Rot. Bonds3

About [1-(4-methylsulfonylphenyl)cyclobutyl]-(1-oxa-7-azaspiro[3.5]nonan-7-yl)methanone

[1-(4-methylsulfonylphenyl)cyclobutyl]-(1-oxa-7-azaspiro[3.5]nonan-7-yl)methanone (PubChem CID 118796209) has the molecular formula C19H25NO4S and a molecular weight of 363.48 g/mol. Its IUPAC name is [1-(4-methylsulfonylphenyl)cyclobutyl]-(1-oxa-7-azaspiro[3.5]nonan-7-yl)methanone.

Molecular Properties

Compound Name[1-(4-methylsulfonylphenyl)cyclobutyl]-(1-oxa-7-azaspiro[3.5]nonan-7-yl)methanone
PubChem CID118796209
Molecular FormulaC19H25NO4S
Molecular Weight363.48 g/mol
Exact Mass363.15
IUPAC Name[1-(4-methylsulfonylphenyl)cyclobutyl]-(1-oxa-7-azaspiro[3.5]nonan-7-yl)methanone
SMILESCS(=O)(=O)c1ccc(C2(C(=O)N3CCC4(CCO4)CC3)CCC2)cc1
InChIInChI=1S/C19H25NO4S/c1-25(22,23)16-5-3-15(4-6-16)19(7-2-8-19)17(21)20-12-9-18(10-13-20)11-14-24-18/h3-6H,2,7-14H2,1H3
InChIKeyGEDKHNDIQNNLOQ-UHFFFAOYSA-N
XLogP2.29
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [1-(4-methylsulfonylphenyl)cyclobutyl]-(1-oxa-7-azaspiro[3.5]nonan-7-yl)methanone with MolForge

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Related Compounds

[(3S,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]-[1-(4-methylsulfonylphenyl)cyclobutyl]methanone
CID 72855028
[1-(4-methylsulfonylphenyl)cyclobutyl]-(3-propan-2-ylpiperidin-1-yl)methanone
CID 91793765
(2R)-1-[1-(4-methylsulfonylphenyl)cyclobutanecarbonyl]pyrrolidine-2-carboxamide
CID 118765159
N-methyl-1-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide
CID 121496267
[(3S,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-[1-(4-methylsulfonylphenyl)cyclohexyl]methanone
CID 155505570
[1-(4-methylphenyl)cyclobutyl]-piperidin-1-ylmethanone
CID 146883856
(3R)-1'-[1-[4-(4-methylsulfonylphenyl)phenyl]cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
CID 66662177
2-[[1-(4-methylsulfonylphenyl)cyclobutanecarbonyl]amino]acetic acid
CID 122557896
N-[4-[1-(azepane-1-carbonyl)cyclobutyl]phenyl]acetamide
CID 53110570
N-methyl-N-(1-methylpiperidin-4-yl)-1-(4-methylsulfonylphenyl)cyclobutane-1-carboxamide
CID 118788762
3-(1-phenylcyclohexanecarbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
CID 154819330
[1-(4-bromophenyl)cyclobutyl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 56572001

Frequently Asked Questions

What is the IUPAC name of [1-(4-methylsulfonylphenyl)cyclobutyl]-(1-oxa-7-azaspiro[3.5]nonan-7-yl)methanone?
The IUPAC name of [1-(4-methylsulfonylphenyl)cyclobutyl]-(1-oxa-7-azaspiro[3.5]nonan-7-yl)methanone (CID 118796209) is [1-(4-methylsulfonylphenyl)cyclobutyl]-(1-oxa-7-azaspiro[3.5]nonan-7-yl)methanone.
What is the SMILES notation for [1-(4-methylsulfonylphenyl)cyclobutyl]-(1-oxa-7-azaspiro[3.5]nonan-7-yl)methanone?
The canonical SMILES for [1-(4-methylsulfonylphenyl)cyclobutyl]-(1-oxa-7-azaspiro[3.5]nonan-7-yl)methanone is CS(=O)(=O)c1ccc(C2(C(=O)N3CCC4(CCO4)CC3)CCC2)cc1.
What is the InChIKey of [1-(4-methylsulfonylphenyl)cyclobutyl]-(1-oxa-7-azaspiro[3.5]nonan-7-yl)methanone?
The InChIKey is GEDKHNDIQNNLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4S/c1-25(22,23)16-5-3-15(4-6-16)19(7-2-8-19)17(21)20-12-9-18(10-13-20)11-14-24-18/h3-6H,2,7-14H2,1H3.
What are the key properties of [1-(4-methylsulfonylphenyl)cyclobutyl]-(1-oxa-7-azaspiro[3.5]nonan-7-yl)methanone?
[1-(4-methylsulfonylphenyl)cyclobutyl]-(1-oxa-7-azaspiro[3.5]nonan-7-yl)methanone has a molecular weight of 363.48 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylsulfonylphenyl)cyclobutyl]-(1-oxa-7-azaspiro[3.5]nonan-7-yl)methanone is sourced from PubChem (CID 118796209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).