methyl 2-[7-(4-methylphenyl)sulfonyl-6-oxo-7-azaspiro[4.5]decan-8-yl]acetate

C19H25NO5S — CID 177217736

IUPACmethyl 2-[7-(4-methylphenyl)sulfonyl-6-oxo-7-azaspiro[4.5]decan-8-yl]acetate
SMILESCOC(=O)CC1CCC2(CCCC2)C(=O)N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H25NO5S/c1-14-5-7-16(8-6-14)26(23,24)20-15(13-17(21)25-2)9-12-19(18(20)22)10-3-4-11-19/h5-8,15H,3-4,9-13H2,1-2H3
InChIKeyKWFYHCNVZQVYLN-UHFFFAOYSA-N
MW379.48 g/mol
LogP2.80
Rot. Bonds4

About methyl 2-[7-(4-methylphenyl)sulfonyl-6-oxo-7-azaspiro[4.5]decan-8-yl]acetate

methyl 2-[7-(4-methylphenyl)sulfonyl-6-oxo-7-azaspiro[4.5]decan-8-yl]acetate (PubChem CID 177217736) has the molecular formula C19H25NO5S and a molecular weight of 379.48 g/mol. Its IUPAC name is methyl 2-[7-(4-methylphenyl)sulfonyl-6-oxo-7-azaspiro[4.5]decan-8-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[7-(4-methylphenyl)sulfonyl-6-oxo-7-azaspiro[4.5]decan-8-yl]acetate
PubChem CID177217736
Molecular FormulaC19H25NO5S
Molecular Weight379.48 g/mol
Exact Mass379.15
IUPAC Namemethyl 2-[7-(4-methylphenyl)sulfonyl-6-oxo-7-azaspiro[4.5]decan-8-yl]acetate
SMILESCOC(=O)CC1CCC2(CCCC2)C(=O)N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H25NO5S/c1-14-5-7-16(8-6-14)26(23,24)20-15(13-17(21)25-2)9-12-19(18(20)22)10-3-4-11-19/h5-8,15H,3-4,9-13H2,1-2H3
InChIKeyKWFYHCNVZQVYLN-UHFFFAOYSA-N
XLogP2.80
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[7-(4-methylphenyl)sulfonyl-6-oxo-7-azaspiro[4.5]decan-8-yl]acetate with MolForge

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Related Compounds

methyl 2-[5,5-dimethyl-1-(4-methylphenyl)sulfonyl-6-oxopiperidin-2-yl]acetate
CID 177217731
methyl 2-[2-(4-methylphenyl)sulfonyl-1-oxo-8-oxa-2-azaspiro[4.5]decan-3-yl]acetate
CID 177217604
methyl 2-[2-(4-methylphenyl)sulfonyl-3-oxo-2-azaspiro[4.4]nonan-1-yl]acetate
CID 177217711
methyl 2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]acetate
CID 61009164
methyl 2-[5-methylidene-1-(4-methylphenyl)sulfonylpiperidin-2-yl]acetate
CID 101233883
methyl 2-[(3S)-1-(4-methylphenyl)sulfonyl-2-oxo-1-azaspiro[4.6]undecan-3-yl]acetate
CID 177434573
methyl 2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetate
CID 11609299
methyl 2-[1-(4-methylphenyl)sulfonyl-3-oxopiperazin-2-yl]acetate
CID 17404752
methyl 2-[7-methyl-5-(4-methylphenyl)sulfonyl-6H-phenanthridin-6-yl]acetate
CID 102042184
methyl 2-[5-(4-methylphenyl)sulfonyl-6H-phenanthridin-6-yl]acetate
CID 67435881
methyl 2-[(2R,4S)-1-(4-methylphenyl)sulfonyl-2-propan-2-ylpiperidin-4-yl]acetate
CID 101353972
methyl 2-[(3R,4R)-3-acetyl-1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetate
CID 122669633

Frequently Asked Questions

What is the IUPAC name of methyl 2-[7-(4-methylphenyl)sulfonyl-6-oxo-7-azaspiro[4.5]decan-8-yl]acetate?
The IUPAC name of methyl 2-[7-(4-methylphenyl)sulfonyl-6-oxo-7-azaspiro[4.5]decan-8-yl]acetate (CID 177217736) is methyl 2-[7-(4-methylphenyl)sulfonyl-6-oxo-7-azaspiro[4.5]decan-8-yl]acetate.
What is the SMILES notation for methyl 2-[7-(4-methylphenyl)sulfonyl-6-oxo-7-azaspiro[4.5]decan-8-yl]acetate?
The canonical SMILES for methyl 2-[7-(4-methylphenyl)sulfonyl-6-oxo-7-azaspiro[4.5]decan-8-yl]acetate is COC(=O)CC1CCC2(CCCC2)C(=O)N1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of methyl 2-[7-(4-methylphenyl)sulfonyl-6-oxo-7-azaspiro[4.5]decan-8-yl]acetate?
The InChIKey is KWFYHCNVZQVYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO5S/c1-14-5-7-16(8-6-14)26(23,24)20-15(13-17(21)25-2)9-12-19(18(20)22)10-3-4-11-19/h5-8,15H,3-4,9-13H2,1-2H3.
What are the key properties of methyl 2-[7-(4-methylphenyl)sulfonyl-6-oxo-7-azaspiro[4.5]decan-8-yl]acetate?
methyl 2-[7-(4-methylphenyl)sulfonyl-6-oxo-7-azaspiro[4.5]decan-8-yl]acetate has a molecular weight of 379.48 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[7-(4-methylphenyl)sulfonyl-6-oxo-7-azaspiro[4.5]decan-8-yl]acetate is sourced from PubChem (CID 177217736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).