1-(benzenesulfonyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylpiperidine-3-carboxamide

C26H32N2O4S — CID 133167722

IUPAC1-(benzenesulfonyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylpiperidine-3-carboxamide
SMILESO=C(NC1CC2(CCCCC2)Oc2ccccc21)C1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C26H32N2O4S/c29-25(20-10-9-17-28(19-20)33(30,31)21-11-3-1-4-12-21)27-23-18-26(15-7-2-8-16-26)32-24-14-6-5-13-22(23)24/h1,3-6,11-14,20,23H,2,7-10,15-19H2,(H,27,29)
InChIKeyLCJGBEHUGSPCIC-UHFFFAOYSA-N
MW468.62 g/mol
LogP4.43
Rot. Bonds4

About 1-(benzenesulfonyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylpiperidine-3-carboxamide

1-(benzenesulfonyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylpiperidine-3-carboxamide (PubChem CID 133167722) has the molecular formula C26H32N2O4S and a molecular weight of 468.62 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylpiperidine-3-carboxamide
PubChem CID133167722
Molecular FormulaC26H32N2O4S
Molecular Weight468.62 g/mol
Exact Mass468.21
IUPAC Name1-(benzenesulfonyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylpiperidine-3-carboxamide
SMILESO=C(NC1CC2(CCCCC2)Oc2ccccc21)C1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C26H32N2O4S/c29-25(20-10-9-17-28(19-20)33(30,31)21-11-3-1-4-12-21)27-23-18-26(15-7-2-8-16-26)32-24-14-6-5-13-22(23)24/h1,3-6,11-14,20,23H,2,7-10,15-19H2,(H,27,29)
InChIKeyLCJGBEHUGSPCIC-UHFFFAOYSA-N
XLogP4.43
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.62
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(4-methylphenyl)sulfonyl-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]piperidine-3-carboxamide
CID 125077452
(3S)-1-(4-methylphenyl)sulfonyl-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]piperidine-3-carboxamide
CID 125077453
1-(4-methylphenyl)sulfonyl-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylpiperidine-3-carboxamide
CID 133167945
(3R)-N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 100668303
(3R)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 100668316
(3S)-1-(benzenesulfonyl)-N-cycloheptylpiperidine-3-carboxamide
CID 39898448
(3R)-N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-ethylsulfonylpiperidine-3-carboxamide
CID 125042763
(3S)-1-(benzenesulfonyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-3-carboxamide
CID 35763626
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 132670286
3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylpropanamide
CID 133199771
(3S)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 125052234
(3S)-N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 125052232

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylpiperidine-3-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylpiperidine-3-carboxamide (CID 133167722) is 1-(benzenesulfonyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylpiperidine-3-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylpiperidine-3-carboxamide is O=C(NC1CC2(CCCCC2)Oc2ccccc21)C1CCCN(S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of 1-(benzenesulfonyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylpiperidine-3-carboxamide?
The InChIKey is LCJGBEHUGSPCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O4S/c29-25(20-10-9-17-28(19-20)33(30,31)21-11-3-1-4-12-21)27-23-18-26(15-7-2-8-16-26)32-24-14-6-5-13-22(23)24/h1,3-6,11-14,20,23H,2,7-10,15-19H2,(H,27,29).
What are the key properties of 1-(benzenesulfonyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylpiperidine-3-carboxamide?
1-(benzenesulfonyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylpiperidine-3-carboxamide has a molecular weight of 468.62 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylpiperidine-3-carboxamide is sourced from PubChem (CID 133167722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).