(2R)-N-[(2R)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)-6-oxaspiro[2.5]octane-2-carboxamide

C20H28N2O2S — CID 129344233

IUPAC(2R)-N-[(2R)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)-6-oxaspiro[2.5]octane-2-carboxamide
SMILESO=C([C@@H]1CC12CCOCC2)N(Cc1ccsc1)[C@@H]1CC12CCNCC2
InChIInChI=1S/C20H28N2O2S/c23-18(16-11-19(16)4-8-24-9-5-19)22(13-15-1-10-25-14-15)17-12-20(17)2-6-21-7-3-20/h1,10,14,16-17,21H,2-9,11-13H2/t16-,17+/m0/s1
InChIKeyYVPJUBONPDLXQS-DLBZAZTESA-N
MW360.52 g/mol
LogP3.04
Rot. Bonds4

About (2R)-N-[(2R)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)-6-oxaspiro[2.5]octane-2-carboxamide

(2R)-N-[(2R)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)-6-oxaspiro[2.5]octane-2-carboxamide (PubChem CID 129344233) has the molecular formula C20H28N2O2S and a molecular weight of 360.52 g/mol. Its IUPAC name is (2R)-N-[(2R)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)-6-oxaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(2R)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)-6-oxaspiro[2.5]octane-2-carboxamide
PubChem CID129344233
Molecular FormulaC20H28N2O2S
Molecular Weight360.52 g/mol
Exact Mass360.19
IUPAC Name(2R)-N-[(2R)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)-6-oxaspiro[2.5]octane-2-carboxamide
SMILESO=C([C@@H]1CC12CCOCC2)N(Cc1ccsc1)[C@@H]1CC12CCNCC2
InChIInChI=1S/C20H28N2O2S/c23-18(16-11-19(16)4-8-24-9-5-19)22(13-15-1-10-25-14-15)17-12-20(17)2-6-21-7-3-20/h1,10,14,16-17,21H,2-9,11-13H2/t16-,17+/m0/s1
InChIKeyYVPJUBONPDLXQS-DLBZAZTESA-N
XLogP3.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.52
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1R,2S)-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-2-cyclopropyl-N-(thiophen-3-ylmethyl)cyclopropane-1-carboxamide
CID 129465946
N-[(2R)-6-azaspiro[2.5]octan-2-yl]-4-fluoro-N-(thiophen-3-ylmethyl)benzamide
CID 129465975
N-(6-azaspiro[2.5]octan-2-yl)-N-(thiophen-3-ylmethyl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 129001221
N-prop-2-enyl-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 131899293
3-amino-N-(6-azaspiro[2.5]octan-2-yl)-N-(thiophen-3-ylmethyl)cyclohexane-1-carboxamide;hydrochloride
CID 128990570
(2S)-2-amino-N-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-phenyl-N-(thiophen-3-ylmethyl)acetamide
CID 129338999
N-[(2R)-6-azaspiro[2.5]octan-2-yl]-2,5-dimethyl-N-(thiophen-3-ylmethyl)furan-3-carboxamide
CID 129466841
3-amino-N-(6-azaspiro[2.5]octan-2-yl)-3-cyclopropyl-N-(thiophen-3-ylmethyl)propanamide
CID 128994548
(2S)-N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 125441868
N-(6-azaspiro[2.5]octan-2-yl)-4-chloro-N-(thiophen-3-ylmethyl)-1H-pyrrole-2-carboxamide
CID 128994657
N-[(2R)-6-azaspiro[2.5]octan-2-yl]-4-chloro-N-(thiophen-3-ylmethyl)-1H-pyrrole-2-carboxamide
CID 129473894
N-[(2S)-6-azaspiro[2.5]octan-2-yl]-6-oxo-N-(thiophen-3-ylmethyl)-1H-pyridazine-3-carboxamide
CID 99778402

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2R)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)-6-oxaspiro[2.5]octane-2-carboxamide?
The IUPAC name of (2R)-N-[(2R)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)-6-oxaspiro[2.5]octane-2-carboxamide (CID 129344233) is (2R)-N-[(2R)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)-6-oxaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for (2R)-N-[(2R)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)-6-oxaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for (2R)-N-[(2R)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)-6-oxaspiro[2.5]octane-2-carboxamide is O=C([C@@H]1CC12CCOCC2)N(Cc1ccsc1)[C@@H]1CC12CCNCC2.
What is the InChIKey of (2R)-N-[(2R)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)-6-oxaspiro[2.5]octane-2-carboxamide?
The InChIKey is YVPJUBONPDLXQS-DLBZAZTESA-N. The full InChI is InChI=1S/C20H28N2O2S/c23-18(16-11-19(16)4-8-24-9-5-19)22(13-15-1-10-25-14-15)17-12-20(17)2-6-21-7-3-20/h1,10,14,16-17,21H,2-9,11-13H2/t16-,17+/m0/s1.
What are the key properties of (2R)-N-[(2R)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)-6-oxaspiro[2.5]octane-2-carboxamide?
(2R)-N-[(2R)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)-6-oxaspiro[2.5]octane-2-carboxamide has a molecular weight of 360.52 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2R)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)-6-oxaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 129344233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).