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

C23H29N3O3S — CID 53183476

IUPAC2-(benzenesulfonyl)-N-(2-pyridin-3-ylethyl)-2-azaspiro[4.5]decane-4-carboxamide
SMILESO=C(NCCc1cccnc1)C1CN(S(=O)(=O)c2ccccc2)CC12CCCCC2
InChIInChI=1S/C23H29N3O3S/c27-22(25-15-11-19-8-7-14-24-16-19)21-17-26(18-23(21)12-5-2-6-13-23)30(28,29)20-9-3-1-4-10-20/h1,3-4,7-10,14,16,21H,2,5-6,11-13,15,17-18H2,(H,25,27)
InChIKeyIBLMWXFXSHIYSM-UHFFFAOYSA-N
MW427.57 g/mol
LogP3.01
Rot. Bonds6

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

2-(benzenesulfonyl)-N-(2-pyridin-3-ylethyl)-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 53183476) has the molecular formula C23H29N3O3S and a molecular weight of 427.57 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N-(2-pyridin-3-ylethyl)-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N-(2-pyridin-3-ylethyl)-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID53183476
Molecular FormulaC23H29N3O3S
Molecular Weight427.57 g/mol
Exact Mass427.19
IUPAC Name2-(benzenesulfonyl)-N-(2-pyridin-3-ylethyl)-2-azaspiro[4.5]decane-4-carboxamide
SMILESO=C(NCCc1cccnc1)C1CN(S(=O)(=O)c2ccccc2)CC12CCCCC2
InChIInChI=1S/C23H29N3O3S/c27-22(25-15-11-19-8-7-14-24-16-19)21-17-26(18-23(21)12-5-2-6-13-23)30(28,29)20-9-3-1-4-10-20/h1,3-4,7-10,14,16,21H,2,5-6,11-13,15,17-18H2,(H,25,27)
InChIKeyIBLMWXFXSHIYSM-UHFFFAOYSA-N
XLogP3.01
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-piperidin-1-ylethyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide
CID 53183521
(4R)-N-(3-piperidin-1-ylpropyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide
CID 95105953
2-pyridin-3-ylsulfonyl-N-(thiophen-2-ylmethyl)-2-azaspiro[4.5]decane-4-carboxamide
CID 53183516
1-(benzenesulfonyl)-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide
CID 31398646
(4S)-N-[(2-methoxyphenyl)methyl]-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide
CID 95105867
6-(5-fluoro-2-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide
CID 155881374
N-(pyridin-3-ylmethyl)-6-quinolin-8-ylsulfonyl-6-azaspiro[3.4]octane-8-carboxamide
CID 155880452
(4R)-N-benzyl-2-cyclopropylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide
CID 95105804
1-(benzenesulfonyl)-4-oxo-N-(2-pyridin-3-ylethyl)-1,5-diazacycloundecane-8-carboxamide
CID 110199888
1-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-(2-pyridin-3-ylethyl)urea
CID 55590542
(2S,3S)-5-(3-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97492643
1,4-bis(benzenesulfonyl)-N-(pyridin-3-ylmethyl)piperazine-2-carboxamide
CID 2864325

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-N-(2-pyridin-3-ylethyl)-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of 2-(benzenesulfonyl)-N-(2-pyridin-3-ylethyl)-2-azaspiro[4.5]decane-4-carboxamide (CID 53183476) is 2-(benzenesulfonyl)-N-(2-pyridin-3-ylethyl)-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for 2-(benzenesulfonyl)-N-(2-pyridin-3-ylethyl)-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for 2-(benzenesulfonyl)-N-(2-pyridin-3-ylethyl)-2-azaspiro[4.5]decane-4-carboxamide is O=C(NCCc1cccnc1)C1CN(S(=O)(=O)c2ccccc2)CC12CCCCC2.
What is the InChIKey of 2-(benzenesulfonyl)-N-(2-pyridin-3-ylethyl)-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is IBLMWXFXSHIYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3S/c27-22(25-15-11-19-8-7-14-24-16-19)21-17-26(18-23(21)12-5-2-6-13-23)30(28,29)20-9-3-1-4-10-20/h1,3-4,7-10,14,16,21H,2,5-6,11-13,15,17-18H2,(H,25,27).
What are the key properties of 2-(benzenesulfonyl)-N-(2-pyridin-3-ylethyl)-2-azaspiro[4.5]decane-4-carboxamide?
2-(benzenesulfonyl)-N-(2-pyridin-3-ylethyl)-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 427.57 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N-(2-pyridin-3-ylethyl)-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 53183476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).