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

C20H25N3O3S2 — CID 53183516

IUPAC2-pyridin-3-ylsulfonyl-N-(thiophen-2-ylmethyl)-2-azaspiro[4.5]decane-4-carboxamide
SMILESO=C(NCc1cccs1)C1CN(S(=O)(=O)c2cccnc2)CC12CCCCC2
InChIInChI=1S/C20H25N3O3S2/c24-19(22-12-16-6-5-11-27-16)18-14-23(15-20(18)8-2-1-3-9-20)28(25,26)17-7-4-10-21-13-17/h4-7,10-11,13,18H,1-3,8-9,12,14-15H2,(H,22,24)
InChIKeyPPKFLGAQSZTMPQ-UHFFFAOYSA-N
MW419.57 g/mol
LogP3.03
Rot. Bonds5

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

2-pyridin-3-ylsulfonyl-N-(thiophen-2-ylmethyl)-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 53183516) has the molecular formula C20H25N3O3S2 and a molecular weight of 419.57 g/mol. Its IUPAC name is 2-pyridin-3-ylsulfonyl-N-(thiophen-2-ylmethyl)-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound Name2-pyridin-3-ylsulfonyl-N-(thiophen-2-ylmethyl)-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID53183516
Molecular FormulaC20H25N3O3S2
Molecular Weight419.57 g/mol
Exact Mass419.13
IUPAC Name2-pyridin-3-ylsulfonyl-N-(thiophen-2-ylmethyl)-2-azaspiro[4.5]decane-4-carboxamide
SMILESO=C(NCc1cccs1)C1CN(S(=O)(=O)c2cccnc2)CC12CCCCC2
InChIInChI=1S/C20H25N3O3S2/c24-19(22-12-16-6-5-11-27-16)18-14-23(15-20(18)8-2-1-3-9-20)28(25,26)17-7-4-10-21-13-17/h4-7,10-11,13,18H,1-3,8-9,12,14-15H2,(H,22,24)
InChIKeyPPKFLGAQSZTMPQ-UHFFFAOYSA-N
XLogP3.03
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-piperidin-1-ylethyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide
CID 53183521
(4S)-N-[(2-methoxyphenyl)methyl]-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide
CID 95105867
(4R)-N-(3-piperidin-1-ylpropyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide
CID 95105953
(4S)-2-(pyridine-4-carbonyl)-N-(thiophen-2-ylmethyl)-2-azaspiro[4.5]decane-4-carboxamide
CID 95107023
2-(benzenesulfonyl)-N-(2-pyridin-3-ylethyl)-2-azaspiro[4.5]decane-4-carboxamide
CID 53183476
(4S)-N-(pyridin-2-ylmethyl)-2-thiophen-2-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide
CID 95105965
1-pyridin-3-ylsulfonyl-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 46602349
N-(pyridin-3-ylmethyl)-6-quinolin-8-ylsulfonyl-6-azaspiro[3.4]octane-8-carboxamide
CID 155880452
2-(pyridine-4-carbonyl)-N-(2-thiophen-2-ylethyl)-2-azaspiro[4.5]decane-4-carboxamide
CID 53184624
6-(5-fluoro-2-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide
CID 155881374
(4R)-N-benzyl-2-cyclopropylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide
CID 95105804
pyrrolidin-1-yl-(2-thiophen-2-ylsulfonyl-2-azaspiro[4.5]decan-4-yl)methanone
CID 53183553

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-ylsulfonyl-N-(thiophen-2-ylmethyl)-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of 2-pyridin-3-ylsulfonyl-N-(thiophen-2-ylmethyl)-2-azaspiro[4.5]decane-4-carboxamide (CID 53183516) is 2-pyridin-3-ylsulfonyl-N-(thiophen-2-ylmethyl)-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for 2-pyridin-3-ylsulfonyl-N-(thiophen-2-ylmethyl)-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for 2-pyridin-3-ylsulfonyl-N-(thiophen-2-ylmethyl)-2-azaspiro[4.5]decane-4-carboxamide is O=C(NCc1cccs1)C1CN(S(=O)(=O)c2cccnc2)CC12CCCCC2.
What is the InChIKey of 2-pyridin-3-ylsulfonyl-N-(thiophen-2-ylmethyl)-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is PPKFLGAQSZTMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S2/c24-19(22-12-16-6-5-11-27-16)18-14-23(15-20(18)8-2-1-3-9-20)28(25,26)17-7-4-10-21-13-17/h4-7,10-11,13,18H,1-3,8-9,12,14-15H2,(H,22,24).
What are the key properties of 2-pyridin-3-ylsulfonyl-N-(thiophen-2-ylmethyl)-2-azaspiro[4.5]decane-4-carboxamide?
2-pyridin-3-ylsulfonyl-N-(thiophen-2-ylmethyl)-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 419.57 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-ylsulfonyl-N-(thiophen-2-ylmethyl)-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 53183516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).