8-azaspiro[4.5]decan-8-yl-(4-ethyl-3-methylsulfonylphenyl)methanone

C19H27NO3S — CID 146124156

IUPAC8-azaspiro[4.5]decan-8-yl-(4-ethyl-3-methylsulfonylphenyl)methanone
SMILESCCc1ccc(C(=O)N2CCC3(CCCC3)CC2)cc1S(C)(=O)=O
InChIInChI=1S/C19H27NO3S/c1-3-15-6-7-16(14-17(15)24(2,22)23)18(21)20-12-10-19(11-13-20)8-4-5-9-19/h6-7,14H,3-5,8-13H2,1-2H3
InChIKeyNWPBEBRVVGVGGF-UHFFFAOYSA-N
MW349.50 g/mol
LogP3.45
Rot. Bonds3

About 8-azaspiro[4.5]decan-8-yl-(4-ethyl-3-methylsulfonylphenyl)methanone

8-azaspiro[4.5]decan-8-yl-(4-ethyl-3-methylsulfonylphenyl)methanone (PubChem CID 146124156) has the molecular formula C19H27NO3S and a molecular weight of 349.50 g/mol. Its IUPAC name is 8-azaspiro[4.5]decan-8-yl-(4-ethyl-3-methylsulfonylphenyl)methanone.

Molecular Properties

Compound Name8-azaspiro[4.5]decan-8-yl-(4-ethyl-3-methylsulfonylphenyl)methanone
PubChem CID146124156
Molecular FormulaC19H27NO3S
Molecular Weight349.50 g/mol
Exact Mass349.17
IUPAC Name8-azaspiro[4.5]decan-8-yl-(4-ethyl-3-methylsulfonylphenyl)methanone
SMILESCCc1ccc(C(=O)N2CCC3(CCCC3)CC2)cc1S(C)(=O)=O
InChIInChI=1S/C19H27NO3S/c1-3-15-6-7-16(14-17(15)24(2,22)23)18(21)20-12-10-19(11-13-20)8-4-5-9-19/h6-7,14H,3-5,8-13H2,1-2H3
InChIKeyNWPBEBRVVGVGGF-UHFFFAOYSA-N
XLogP3.45
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-3-methylsulfonylbenzoic acid
CID 22597779
2-ethyl-5-(morpholine-4-carbonyl)benzenesulfonyl chloride
CID 65370060
(4-ethyl-3-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone
CID 43058655
8-azaspiro[4.5]decan-8-yl-[4-(chloromethyl)phenyl]methanone
CID 63158833
8-azaspiro[4.5]decan-8-yl-(4-bromo-3-chlorophenyl)methanone
CID 81307681
3-azaspiro[5.5]undecan-3-yl-[4-(bromomethyl)phenyl]methanone
CID 102851630
(3-amino-4-bromophenyl)-(3-azaspiro[5.5]undecan-3-yl)methanone
CID 62935978
8-azaspiro[4.5]decan-8-yl-(2-bromo-4-pyridinyl)methanone
CID 103755510
(2-amino-4-pyridinyl)-(8-azaspiro[4.5]decan-8-yl)methanone
CID 63161919
5-(3,4-dimethylpyrrolidine-1-carbonyl)-2-ethylbenzenesulfonyl chloride
CID 79179610
[3-(aminomethyl)phenyl]-(3-azaspiro[5.5]undecan-3-yl)methanone
CID 62936686
(3S)-3-methyl-1-(4-methyl-3-methylsulfonylbenzoyl)pyrrolidine-3-carboxylic acid
CID 125132542

Frequently Asked Questions

What is the IUPAC name of 8-azaspiro[4.5]decan-8-yl-(4-ethyl-3-methylsulfonylphenyl)methanone?
The IUPAC name of 8-azaspiro[4.5]decan-8-yl-(4-ethyl-3-methylsulfonylphenyl)methanone (CID 146124156) is 8-azaspiro[4.5]decan-8-yl-(4-ethyl-3-methylsulfonylphenyl)methanone.
What is the SMILES notation for 8-azaspiro[4.5]decan-8-yl-(4-ethyl-3-methylsulfonylphenyl)methanone?
The canonical SMILES for 8-azaspiro[4.5]decan-8-yl-(4-ethyl-3-methylsulfonylphenyl)methanone is CCc1ccc(C(=O)N2CCC3(CCCC3)CC2)cc1S(C)(=O)=O.
What is the InChIKey of 8-azaspiro[4.5]decan-8-yl-(4-ethyl-3-methylsulfonylphenyl)methanone?
The InChIKey is NWPBEBRVVGVGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3S/c1-3-15-6-7-16(14-17(15)24(2,22)23)18(21)20-12-10-19(11-13-20)8-4-5-9-19/h6-7,14H,3-5,8-13H2,1-2H3.
What are the key properties of 8-azaspiro[4.5]decan-8-yl-(4-ethyl-3-methylsulfonylphenyl)methanone?
8-azaspiro[4.5]decan-8-yl-(4-ethyl-3-methylsulfonylphenyl)methanone has a molecular weight of 349.50 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azaspiro[4.5]decan-8-yl-(4-ethyl-3-methylsulfonylphenyl)methanone is sourced from PubChem (CID 146124156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).