1'-ethylsulfonyl-N,N-dimethylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide

C17H24N2O4S — CID 131643865

IUPAC1'-ethylsulfonyl-N,N-dimethylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide
SMILESCCS(=O)(=O)N1CCC2(CC1)OC(C(=O)N(C)C)c1ccccc12
InChIInChI=1S/C17H24N2O4S/c1-4-24(21,22)19-11-9-17(10-12-19)14-8-6-5-7-13(14)15(23-17)16(20)18(2)3/h5-8,15H,4,9-12H2,1-3H3
InChIKeyHESAZZIGOPFORC-UHFFFAOYSA-N
MW352.46 g/mol
LogP1.49
Rot. Bonds3

About 1'-ethylsulfonyl-N,N-dimethylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide

1'-ethylsulfonyl-N,N-dimethylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide (PubChem CID 131643865) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is 1'-ethylsulfonyl-N,N-dimethylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide.

Molecular Properties

Compound Name1'-ethylsulfonyl-N,N-dimethylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide
PubChem CID131643865
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC Name1'-ethylsulfonyl-N,N-dimethylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide
SMILESCCS(=O)(=O)N1CCC2(CC1)OC(C(=O)N(C)C)c1ccccc12
InChIInChI=1S/C17H24N2O4S/c1-4-24(21,22)19-11-9-17(10-12-19)14-8-6-5-7-13(14)15(23-17)16(20)18(2)3/h5-8,15H,4,9-12H2,1-3H3
InChIKeyHESAZZIGOPFORC-UHFFFAOYSA-N
XLogP1.49
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide
CID 71193689
1-N,1-N,1-N',1-N'-tetramethylspiro[1H-2-benzofuran-3,4'-piperidine]-1,1'-dicarboxamide
CID 118739574
(1S)-1'-[(4-fluorophenyl)methyl]-N,N-dimethylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide
CID 97381058
(1R)-1'-[(4-fluorophenyl)methyl]-N,N-dimethylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide
CID 97381059
(1S)-1'-[2-(3-fluorophenyl)acetyl]-N,N-dimethylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide
CID 129554844
(1R)-1'-[2-(3-fluorophenyl)acetyl]-N,N-dimethylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide
CID 129554847
1'-[(4-fluorophenyl)methyl]-N,N-dimethylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide
CID 131640976
1'-[(1S,2R)-2-fluorocyclopropanecarbonyl]-N-(2-methoxyethyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide
CID 131690141
1'-(3-fluoropropanoyl)-N-(2-methoxyethyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide
CID 131690167
[(1S,2R)-2-fluorocyclopropyl]-[1-(pyrrolidine-1-carbonyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl]methanone
CID 131690557
1'-(3-fluoropropanoyl)-N-propan-2-ylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide
CID 131691295
1-[2-(2-Fluorophenyl)-2-methoxypropanoyl]piperidine-4-sulfonamide
CID 137873493

Frequently Asked Questions

What is the IUPAC name of 1'-ethylsulfonyl-N,N-dimethylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide?
The IUPAC name of 1'-ethylsulfonyl-N,N-dimethylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide (CID 131643865) is 1'-ethylsulfonyl-N,N-dimethylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide.
What is the SMILES notation for 1'-ethylsulfonyl-N,N-dimethylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide?
The canonical SMILES for 1'-ethylsulfonyl-N,N-dimethylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide is CCS(=O)(=O)N1CCC2(CC1)OC(C(=O)N(C)C)c1ccccc12.
What is the InChIKey of 1'-ethylsulfonyl-N,N-dimethylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide?
The InChIKey is HESAZZIGOPFORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-4-24(21,22)19-11-9-17(10-12-19)14-8-6-5-7-13(14)15(23-17)16(20)18(2)3/h5-8,15H,4,9-12H2,1-3H3.
What are the key properties of 1'-ethylsulfonyl-N,N-dimethylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide?
1'-ethylsulfonyl-N,N-dimethylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide has a molecular weight of 352.46 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-ethylsulfonyl-N,N-dimethylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide is sourced from PubChem (CID 131643865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).