2-(benzenesulfonyl)-N-(pyridin-3-ylmethyl)-2-azaspiro[4.5]decane-4-carboxamide

C22H27N3O3S — CID 53183470

IUPAC2-(benzenesulfonyl)-N-(pyridin-3-ylmethyl)-2-azaspiro[4.5]decane-4-carboxamide
SMILESO=C(NCc1cccnc1)C1CN(S(=O)(=O)c2ccccc2)CC12CCCCC2
InChIInChI=1S/C22H27N3O3S/c26-21(24-15-18-8-7-13-23-14-18)20-16-25(17-22(20)11-5-2-6-12-22)29(27,28)19-9-3-1-4-10-19/h1,3-4,7-10,13-14,20H,2,5-6,11-12,15-17H2,(H,24,26)
InChIKeyWVQBCQVBHBMLIO-UHFFFAOYSA-N
MW413.54 g/mol
LogP2.97
Rot. Bonds5

About 2-(benzenesulfonyl)-N-(pyridin-3-ylmethyl)-2-azaspiro[4.5]decane-4-carboxamide

2-(benzenesulfonyl)-N-(pyridin-3-ylmethyl)-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 53183470) has the molecular formula C22H27N3O3S and a molecular weight of 413.54 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N-(pyridin-3-ylmethyl)-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N-(pyridin-3-ylmethyl)-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID53183470
Molecular FormulaC22H27N3O3S
Molecular Weight413.54 g/mol
Exact Mass413.18
IUPAC Name2-(benzenesulfonyl)-N-(pyridin-3-ylmethyl)-2-azaspiro[4.5]decane-4-carboxamide
SMILESO=C(NCc1cccnc1)C1CN(S(=O)(=O)c2ccccc2)CC12CCCCC2
InChIInChI=1S/C22H27N3O3S/c26-21(24-15-18-8-7-13-23-14-18)20-16-25(17-22(20)11-5-2-6-12-22)29(27,28)19-9-3-1-4-10-19/h1,3-4,7-10,13-14,20H,2,5-6,11-12,15-17H2,(H,24,26)
InChIKeyWVQBCQVBHBMLIO-UHFFFAOYSA-N
XLogP2.97
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.54
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(3-Biphenylyl)-N-{(2R)-2-hydroxy-3-[(2-pyridinylsulfonyl)amino]propyl}-4-methylpentanamide
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CID 10671210
Sulfonamidopyrrolidinone 3f
CID 10765919
4-(4-{[(3S)-1-[(3-carbamimidoylphenyl)methyl]-2-oxopyrrolidin-3-yl]sulfamoyl}phenyl)-1-methylpyridin-1-ium
CID 10555769
Sulfonamide deriv., 7i
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(E)-N-[6-[3-(phenylsulfamoyl)phenyl]hexyl]-3-pyridin-3-ylprop-2-enamide
CID 155549611
3-[4-(ethylsulfamoyl)phenyl]-N-(pyridin-2-ylmethyl)propanamide
CID 2228455
3-[4-(ethylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide
CID 3161025
4-(5-oxopyrrolidin-3-yl)-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 3888077
8-(4-Chloro-benzenesulfonylamino)-4-(3-pyridin-3-yl-propyl)-octanoic acid amide
CID 10072535
3-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 17617945
3-[(3R,4R)-1-(1-Benzenesulfonyl-1H-pyrrol-2-ylmethyl)-3,4-dimethyl-piperidin-4-yl]-benzamide
CID 44358923

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-N-(pyridin-3-ylmethyl)-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of 2-(benzenesulfonyl)-N-(pyridin-3-ylmethyl)-2-azaspiro[4.5]decane-4-carboxamide (CID 53183470) is 2-(benzenesulfonyl)-N-(pyridin-3-ylmethyl)-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for 2-(benzenesulfonyl)-N-(pyridin-3-ylmethyl)-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for 2-(benzenesulfonyl)-N-(pyridin-3-ylmethyl)-2-azaspiro[4.5]decane-4-carboxamide is O=C(NCc1cccnc1)C1CN(S(=O)(=O)c2ccccc2)CC12CCCCC2.
What is the InChIKey of 2-(benzenesulfonyl)-N-(pyridin-3-ylmethyl)-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is WVQBCQVBHBMLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3S/c26-21(24-15-18-8-7-13-23-14-18)20-16-25(17-22(20)11-5-2-6-12-22)29(27,28)19-9-3-1-4-10-19/h1,3-4,7-10,13-14,20H,2,5-6,11-12,15-17H2,(H,24,26).
What are the key properties of 2-(benzenesulfonyl)-N-(pyridin-3-ylmethyl)-2-azaspiro[4.5]decane-4-carboxamide?
2-(benzenesulfonyl)-N-(pyridin-3-ylmethyl)-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 413.54 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N-(pyridin-3-ylmethyl)-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 53183470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).