(2S)-2-[acetyl(thiophen-3-ylmethyl)amino]-N,N-dimethyl-6-azaspiro[2.5]octane-6-carboxamide

C17H25N3O2S — CID 125138274

IUPAC(2S)-2-[acetyl(thiophen-3-ylmethyl)amino]-N,N-dimethyl-6-azaspiro[2.5]octane-6-carboxamide
SMILESCC(=O)N(Cc1ccsc1)[C@H]1CC12CCN(C(=O)N(C)C)CC2
InChIInChI=1S/C17H25N3O2S/c1-13(21)20(11-14-4-9-23-12-14)15-10-17(15)5-7-19(8-6-17)16(22)18(2)3/h4,9,12,15H,5-8,10-11H2,1-3H3/t15-/m0/s1
InChIKeyMMNXZGLPRPQERD-HNNXBMFYSA-N
MW335.47 g/mol
LogP2.63
Rot. Bonds3

About (2S)-2-[acetyl(thiophen-3-ylmethyl)amino]-N,N-dimethyl-6-azaspiro[2.5]octane-6-carboxamide

(2S)-2-[acetyl(thiophen-3-ylmethyl)amino]-N,N-dimethyl-6-azaspiro[2.5]octane-6-carboxamide (PubChem CID 125138274) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is (2S)-2-[acetyl(thiophen-3-ylmethyl)amino]-N,N-dimethyl-6-azaspiro[2.5]octane-6-carboxamide.

Molecular Properties

Compound Name(2S)-2-[acetyl(thiophen-3-ylmethyl)amino]-N,N-dimethyl-6-azaspiro[2.5]octane-6-carboxamide
PubChem CID125138274
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC Name(2S)-2-[acetyl(thiophen-3-ylmethyl)amino]-N,N-dimethyl-6-azaspiro[2.5]octane-6-carboxamide
SMILESCC(=O)N(Cc1ccsc1)[C@H]1CC12CCN(C(=O)N(C)C)CC2
InChIInChI=1S/C17H25N3O2S/c1-13(21)20(11-14-4-9-23-12-14)15-10-17(15)5-7-19(8-6-17)16(22)18(2)3/h4,9,12,15H,5-8,10-11H2,1-3H3/t15-/m0/s1
InChIKeyMMNXZGLPRPQERD-HNNXBMFYSA-N
XLogP2.63
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[acetyl(thiophen-3-ylmethyl)amino]-N,N-dimethyl-6-azaspiro[2.5]octane-6-carboxamide with MolForge

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Related Compounds

N-(6-acetyl-6-azaspiro[2.5]octan-2-yl)-N-(thiophen-3-ylmethyl)acetamide
CID 146129102
N-[6-(3-methylsulfanylpropanoyl)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 128974534
N-[(2S)-6-(pyrimidin-5-ylmethyl)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 129341789
N-[(2S)-6-(6-oxo-1H-pyridine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 129474223
N-[(2S)-6-[(2S)-2-hydroxy-3-methoxypropyl]-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 129478324
N-[6-[(2S)-2-hydroxy-3-methoxypropyl]-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 128971240
N-[(2R)-6-[(1-methylpyrrol-2-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 129477100
N-[(2R)-6-[(3S)-oxolan-3-yl]-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 124881189
N-[(2S)-6-(5-chloropyrimidin-2-yl)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 129475873
N-(6-acetyl-6-azaspiro[2.5]octan-2-yl)-1-methyl-N-(thiophen-3-ylmethyl)piperidine-2-carboxamide
CID 154773521
N-[(2R)-6-[(1-ethylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 129337393
N-(thiophen-3-ylmethyl)-N-[6-[2-(2,2,2-trifluoroethoxy)ethyl]-6-azaspiro[2.5]octan-2-yl]acetamide
CID 167759982

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[acetyl(thiophen-3-ylmethyl)amino]-N,N-dimethyl-6-azaspiro[2.5]octane-6-carboxamide?
The IUPAC name of (2S)-2-[acetyl(thiophen-3-ylmethyl)amino]-N,N-dimethyl-6-azaspiro[2.5]octane-6-carboxamide (CID 125138274) is (2S)-2-[acetyl(thiophen-3-ylmethyl)amino]-N,N-dimethyl-6-azaspiro[2.5]octane-6-carboxamide.
What is the SMILES notation for (2S)-2-[acetyl(thiophen-3-ylmethyl)amino]-N,N-dimethyl-6-azaspiro[2.5]octane-6-carboxamide?
The canonical SMILES for (2S)-2-[acetyl(thiophen-3-ylmethyl)amino]-N,N-dimethyl-6-azaspiro[2.5]octane-6-carboxamide is CC(=O)N(Cc1ccsc1)[C@H]1CC12CCN(C(=O)N(C)C)CC2.
What is the InChIKey of (2S)-2-[acetyl(thiophen-3-ylmethyl)amino]-N,N-dimethyl-6-azaspiro[2.5]octane-6-carboxamide?
The InChIKey is MMNXZGLPRPQERD-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-13(21)20(11-14-4-9-23-12-14)15-10-17(15)5-7-19(8-6-17)16(22)18(2)3/h4,9,12,15H,5-8,10-11H2,1-3H3/t15-/m0/s1.
What are the key properties of (2S)-2-[acetyl(thiophen-3-ylmethyl)amino]-N,N-dimethyl-6-azaspiro[2.5]octane-6-carboxamide?
(2S)-2-[acetyl(thiophen-3-ylmethyl)amino]-N,N-dimethyl-6-azaspiro[2.5]octane-6-carboxamide has a molecular weight of 335.47 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[acetyl(thiophen-3-ylmethyl)amino]-N,N-dimethyl-6-azaspiro[2.5]octane-6-carboxamide is sourced from PubChem (CID 125138274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).