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

C20H25N3O3S2 — CID 95105965

IUPAC(4S)-N-(pyridin-2-ylmethyl)-2-thiophen-2-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide
SMILESO=C(NCc1ccccn1)[C@@H]1CN(S(=O)(=O)c2cccs2)CC12CCCCC2
InChIInChI=1S/C20H25N3O3S2/c24-19(22-13-16-7-2-5-11-21-16)17-14-23(15-20(17)9-3-1-4-10-20)28(25,26)18-8-6-12-27-18/h2,5-8,11-12,17H,1,3-4,9-10,13-15H2,(H,22,24)/t17-/m0/s1
InChIKeyITMIDSGCYPITAG-KRWDZBQOSA-N
MW419.57 g/mol
LogP3.03
Rot. Bonds5

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

(4S)-N-(pyridin-2-ylmethyl)-2-thiophen-2-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 95105965) has the molecular formula C20H25N3O3S2 and a molecular weight of 419.57 g/mol. Its IUPAC name is (4S)-N-(pyridin-2-ylmethyl)-2-thiophen-2-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-(pyridin-2-ylmethyl)-2-thiophen-2-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID95105965
Molecular FormulaC20H25N3O3S2
Molecular Weight419.57 g/mol
Exact Mass419.13
IUPAC Name(4S)-N-(pyridin-2-ylmethyl)-2-thiophen-2-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide
SMILESO=C(NCc1ccccn1)[C@@H]1CN(S(=O)(=O)c2cccs2)CC12CCCCC2
InChIInChI=1S/C20H25N3O3S2/c24-19(22-13-16-7-2-5-11-21-16)17-14-23(15-20(17)9-3-1-4-10-20)28(25,26)18-8-6-12-27-18/h2,5-8,11-12,17H,1,3-4,9-10,13-15H2,(H,22,24)/t17-/m0/s1
InChIKeyITMIDSGCYPITAG-KRWDZBQOSA-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

2-pyridin-3-ylsulfonyl-N-(thiophen-2-ylmethyl)-2-azaspiro[4.5]decane-4-carboxamide
CID 53183516
pyrrolidin-1-yl-(2-thiophen-2-ylsulfonyl-2-azaspiro[4.5]decan-4-yl)methanone
CID 53183553
6-N-cyclohexyl-8-N-(pyridin-2-ylmethyl)-6-azaspiro[3.4]octane-6,8-dicarboxamide
CID 155880870
6-[2-(2-chlorophenyl)acetyl]-N-(pyridin-2-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide
CID 154579463
(4R)-N-benzyl-2-cyclopropylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide
CID 95105804
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 55857840
6-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-N-(pyridin-2-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide
CID 154579484
N'-(pyridin-2-ylmethyl)-N-[[(2R)-3-thiophen-2-ylsulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
CID 41092845
2-(benzenesulfonyl)-N-(2-pyridin-3-ylethyl)-2-azaspiro[4.5]decane-4-carboxamide
CID 53183476
N-[(1-methylbenzimidazol-2-yl)methyl]-2-methylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide
CID 71837112
2-(pyridine-4-carbonyl)-N-(2-thiophen-2-ylethyl)-2-azaspiro[4.5]decane-4-carboxamide
CID 53184624
N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 46385752

Frequently Asked Questions

What is the IUPAC name of (4S)-N-(pyridin-2-ylmethyl)-2-thiophen-2-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of (4S)-N-(pyridin-2-ylmethyl)-2-thiophen-2-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide (CID 95105965) is (4S)-N-(pyridin-2-ylmethyl)-2-thiophen-2-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for (4S)-N-(pyridin-2-ylmethyl)-2-thiophen-2-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for (4S)-N-(pyridin-2-ylmethyl)-2-thiophen-2-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide is O=C(NCc1ccccn1)[C@@H]1CN(S(=O)(=O)c2cccs2)CC12CCCCC2.
What is the InChIKey of (4S)-N-(pyridin-2-ylmethyl)-2-thiophen-2-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is ITMIDSGCYPITAG-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H25N3O3S2/c24-19(22-13-16-7-2-5-11-21-16)17-14-23(15-20(17)9-3-1-4-10-20)28(25,26)18-8-6-12-27-18/h2,5-8,11-12,17H,1,3-4,9-10,13-15H2,(H,22,24)/t17-/m0/s1.
What are the key properties of (4S)-N-(pyridin-2-ylmethyl)-2-thiophen-2-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide?
(4S)-N-(pyridin-2-ylmethyl)-2-thiophen-2-ylsulfonyl-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 (4S)-N-(pyridin-2-ylmethyl)-2-thiophen-2-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 95105965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).