[1-(benzenesulfonyl)piperidin-3-yl]-[(1R)-spiro[1H-2-benzofuran-3,4'-piperidine]-1-yl]methanone

C24H28N2O4S — CID 91555731

IUPAC[1-(benzenesulfonyl)piperidin-3-yl]-[(1R)-spiro[1H-2-benzofuran-3,4'-piperidine]-1-yl]methanone
SMILESO=C(C1CCCN(S(=O)(=O)c2ccccc2)C1)[C@@H]1OC2(CCNCC2)c2ccccc21
InChIInChI=1S/C24H28N2O4S/c27-22(18-7-6-16-26(17-18)31(28,29)19-8-2-1-3-9-19)23-20-10-4-5-11-21(20)24(30-23)12-14-25-15-13-24/h1-5,8-11,18,23,25H,6-7,12-17H2/t18?,23-/m1/s1
InChIKeyVGOGTKMTQMHAIH-WBPHRXDCSA-N
MW440.57 g/mol
LogP3.01
Rot. Bonds4

About [1-(benzenesulfonyl)piperidin-3-yl]-[(1R)-spiro[1H-2-benzofuran-3,4'-piperidine]-1-yl]methanone

[1-(benzenesulfonyl)piperidin-3-yl]-[(1R)-spiro[1H-2-benzofuran-3,4'-piperidine]-1-yl]methanone (PubChem CID 91555731) has the molecular formula C24H28N2O4S and a molecular weight of 440.57 g/mol. Its IUPAC name is [1-(benzenesulfonyl)piperidin-3-yl]-[(1R)-spiro[1H-2-benzofuran-3,4'-piperidine]-1-yl]methanone.

Molecular Properties

Compound Name[1-(benzenesulfonyl)piperidin-3-yl]-[(1R)-spiro[1H-2-benzofuran-3,4'-piperidine]-1-yl]methanone
PubChem CID91555731
Molecular FormulaC24H28N2O4S
Molecular Weight440.57 g/mol
Exact Mass440.18
IUPAC Name[1-(benzenesulfonyl)piperidin-3-yl]-[(1R)-spiro[1H-2-benzofuran-3,4'-piperidine]-1-yl]methanone
SMILESO=C(C1CCCN(S(=O)(=O)c2ccccc2)C1)[C@@H]1OC2(CCNCC2)c2ccccc21
InChIInChI=1S/C24H28N2O4S/c27-22(18-7-6-16-26(17-18)31(28,29)19-8-2-1-3-9-19)23-20-10-4-5-11-21(20)24(30-23)12-14-25-15-13-24/h1-5,8-11,18,23,25H,6-7,12-17H2/t18?,23-/m1/s1
InChIKeyVGOGTKMTQMHAIH-WBPHRXDCSA-N
XLogP3.01
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-(benzenesulfonyl)piperidin-3-yl]-[(1R)-spiro[1H-2-benzofuran-3,4'-piperidine]-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(benzenesulfonyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 51179844
1-(4-phenylphenyl)sulfonylpiperidine-3-carboxylic acid
CID 69368579
1-(benzenesulfonyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylpiperidine-3-carboxamide
CID 133167722
(3S)-1-(benzenesulfonyl)-N-cycloheptylpiperidine-3-carboxamide
CID 39898448
1-(benzenesulfonyl)-N-(4-chlorophenyl)piperidine-3-carboxamide
CID 16862471
1-(benzenesulfonyl)-N-benzhydrylpiperidine-3-carboxamide
CID 46438239
(3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(benzenesulfonyl)piperidine-3-carboxamide
CID 100659269
[4-(benzenesulfonyl)piperazin-1-yl]-[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]methanone
CID 100675172
(3S)-1-(benzenesulfonyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-3-carboxamide
CID 35763626
(3R)-1-(benzenesulfonyl)-N-[(4-phenyloxan-4-yl)methyl]piperidine-3-carboxamide
CID 100663435
1-[1-(benzenesulfonyl)piperidine-3-carbonyl]piperidine-4-carboxamide
CID 5033864
1-(benzenesulfonyl)-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 45153730

Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)piperidin-3-yl]-[(1R)-spiro[1H-2-benzofuran-3,4'-piperidine]-1-yl]methanone?
The IUPAC name of [1-(benzenesulfonyl)piperidin-3-yl]-[(1R)-spiro[1H-2-benzofuran-3,4'-piperidine]-1-yl]methanone (CID 91555731) is [1-(benzenesulfonyl)piperidin-3-yl]-[(1R)-spiro[1H-2-benzofuran-3,4'-piperidine]-1-yl]methanone.
What is the SMILES notation for [1-(benzenesulfonyl)piperidin-3-yl]-[(1R)-spiro[1H-2-benzofuran-3,4'-piperidine]-1-yl]methanone?
The canonical SMILES for [1-(benzenesulfonyl)piperidin-3-yl]-[(1R)-spiro[1H-2-benzofuran-3,4'-piperidine]-1-yl]methanone is O=C(C1CCCN(S(=O)(=O)c2ccccc2)C1)[C@@H]1OC2(CCNCC2)c2ccccc21.
What is the InChIKey of [1-(benzenesulfonyl)piperidin-3-yl]-[(1R)-spiro[1H-2-benzofuran-3,4'-piperidine]-1-yl]methanone?
The InChIKey is VGOGTKMTQMHAIH-WBPHRXDCSA-N. The full InChI is InChI=1S/C24H28N2O4S/c27-22(18-7-6-16-26(17-18)31(28,29)19-8-2-1-3-9-19)23-20-10-4-5-11-21(20)24(30-23)12-14-25-15-13-24/h1-5,8-11,18,23,25H,6-7,12-17H2/t18?,23-/m1/s1.
What are the key properties of [1-(benzenesulfonyl)piperidin-3-yl]-[(1R)-spiro[1H-2-benzofuran-3,4'-piperidine]-1-yl]methanone?
[1-(benzenesulfonyl)piperidin-3-yl]-[(1R)-spiro[1H-2-benzofuran-3,4'-piperidine]-1-yl]methanone has a molecular weight of 440.57 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)piperidin-3-yl]-[(1R)-spiro[1H-2-benzofuran-3,4'-piperidine]-1-yl]methanone is sourced from PubChem (CID 91555731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).