N-(6-acetyl-6-azaspiro[2.5]octan-2-yl)-N-(thiophen-3-ylmethyl)acetamide

C16H22N2O2S — CID 146129102

IUPACN-(6-acetyl-6-azaspiro[2.5]octan-2-yl)-N-(thiophen-3-ylmethyl)acetamide
SMILESCC(=O)N1CCC2(CC1)CC2N(Cc1ccsc1)C(C)=O
InChIInChI=1S/C16H22N2O2S/c1-12(19)17-6-4-16(5-7-17)9-15(16)18(13(2)20)10-14-3-8-21-11-14/h3,8,11,15H,4-7,9-10H2,1-2H3
InChIKeyMTTRGLZXZRNDCT-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.50
Rot. Bonds3

About N-(6-acetyl-6-azaspiro[2.5]octan-2-yl)-N-(thiophen-3-ylmethyl)acetamide

N-(6-acetyl-6-azaspiro[2.5]octan-2-yl)-N-(thiophen-3-ylmethyl)acetamide (PubChem CID 146129102) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is N-(6-acetyl-6-azaspiro[2.5]octan-2-yl)-N-(thiophen-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(6-acetyl-6-azaspiro[2.5]octan-2-yl)-N-(thiophen-3-ylmethyl)acetamide
PubChem CID146129102
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC NameN-(6-acetyl-6-azaspiro[2.5]octan-2-yl)-N-(thiophen-3-ylmethyl)acetamide
SMILESCC(=O)N1CCC2(CC1)CC2N(Cc1ccsc1)C(C)=O
InChIInChI=1S/C16H22N2O2S/c1-12(19)17-6-4-16(5-7-17)9-15(16)18(13(2)20)10-14-3-8-21-11-14/h3,8,11,15H,4-7,9-10H2,1-2H3
InChIKeyMTTRGLZXZRNDCT-UHFFFAOYSA-N
XLogP2.50
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[acetyl(thiophen-3-ylmethyl)amino]-N,N-dimethyl-6-azaspiro[2.5]octane-6-carboxamide
CID 125138274
N-[6-(3-methylsulfanylpropanoyl)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 128974534
N-(6-acetyl-6-azaspiro[2.5]octan-2-yl)-1-methyl-N-(thiophen-3-ylmethyl)piperidine-2-carboxamide
CID 154773521
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-[(3S)-oxolan-3-yl]-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 124881189
N-[(2S)-6-(pyrimidin-5-ylmethyl)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 129341789
N-[(2S)-6-(5-chloropyrimidin-2-yl)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 129475873
N-[(2R)-6-[(1-methylpyrrol-2-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 129477100
(2R)-2-[acetyl(thiophen-3-ylmethyl)amino]-N-(4-methyl-1,2-oxazol-3-yl)-6-azaspiro[2.5]octane-6-carboxamide
CID 129344220
N-[6-[3-(3-but-3-ynyldiazirin-3-yl)propanoyl]-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 167924727

Frequently Asked Questions

What is the IUPAC name of N-(6-acetyl-6-azaspiro[2.5]octan-2-yl)-N-(thiophen-3-ylmethyl)acetamide?
The IUPAC name of N-(6-acetyl-6-azaspiro[2.5]octan-2-yl)-N-(thiophen-3-ylmethyl)acetamide (CID 146129102) is N-(6-acetyl-6-azaspiro[2.5]octan-2-yl)-N-(thiophen-3-ylmethyl)acetamide.
What is the SMILES notation for N-(6-acetyl-6-azaspiro[2.5]octan-2-yl)-N-(thiophen-3-ylmethyl)acetamide?
The canonical SMILES for N-(6-acetyl-6-azaspiro[2.5]octan-2-yl)-N-(thiophen-3-ylmethyl)acetamide is CC(=O)N1CCC2(CC1)CC2N(Cc1ccsc1)C(C)=O.
What is the InChIKey of N-(6-acetyl-6-azaspiro[2.5]octan-2-yl)-N-(thiophen-3-ylmethyl)acetamide?
The InChIKey is MTTRGLZXZRNDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-12(19)17-6-4-16(5-7-17)9-15(16)18(13(2)20)10-14-3-8-21-11-14/h3,8,11,15H,4-7,9-10H2,1-2H3.
What are the key properties of N-(6-acetyl-6-azaspiro[2.5]octan-2-yl)-N-(thiophen-3-ylmethyl)acetamide?
N-(6-acetyl-6-azaspiro[2.5]octan-2-yl)-N-(thiophen-3-ylmethyl)acetamide has a molecular weight of 306.43 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetyl-6-azaspiro[2.5]octan-2-yl)-N-(thiophen-3-ylmethyl)acetamide is sourced from PubChem (CID 146129102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).