2-(8-ethylsulfonyl-1-oxo-2,8-diazaspiro[4.5]decan-2-yl)-N,N-dimethylacetamide

C14H25N3O4S — CID 97370260

IUPAC2-(8-ethylsulfonyl-1-oxo-2,8-diazaspiro[4.5]decan-2-yl)-N,N-dimethylacetamide
SMILESCCS(=O)(=O)N1CCC2(CCN(CC(=O)N(C)C)C2=O)CC1
InChIInChI=1S/C14H25N3O4S/c1-4-22(20,21)17-9-6-14(7-10-17)5-8-16(13(14)19)11-12(18)15(2)3/h4-11H2,1-3H3
InChIKeyCVCUXSNRZKVWQI-UHFFFAOYSA-N
MW331.44 g/mol
LogP-0.26
Rot. Bonds4

About 2-(8-ethylsulfonyl-1-oxo-2,8-diazaspiro[4.5]decan-2-yl)-N,N-dimethylacetamide

2-(8-ethylsulfonyl-1-oxo-2,8-diazaspiro[4.5]decan-2-yl)-N,N-dimethylacetamide (PubChem CID 97370260) has the molecular formula C14H25N3O4S and a molecular weight of 331.44 g/mol. Its IUPAC name is 2-(8-ethylsulfonyl-1-oxo-2,8-diazaspiro[4.5]decan-2-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(8-ethylsulfonyl-1-oxo-2,8-diazaspiro[4.5]decan-2-yl)-N,N-dimethylacetamide
PubChem CID97370260
Molecular FormulaC14H25N3O4S
Molecular Weight331.44 g/mol
Exact Mass331.16
IUPAC Name2-(8-ethylsulfonyl-1-oxo-2,8-diazaspiro[4.5]decan-2-yl)-N,N-dimethylacetamide
SMILESCCS(=O)(=O)N1CCC2(CCN(CC(=O)N(C)C)C2=O)CC1
InChIInChI=1S/C14H25N3O4S/c1-4-22(20,21)17-9-6-14(7-10-17)5-8-16(13(14)19)11-12(18)15(2)3/h4-11H2,1-3H3
InChIKeyCVCUXSNRZKVWQI-UHFFFAOYSA-N
XLogP-0.26
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 5-0.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-ethylsulfonyl-2-methyl-2,8-diazaspiro[4.5]decan-1-one
CID 97370123
N,N-dimethyl-2-[8-[(1-methylpyrazol-4-yl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-2-yl]acetamide
CID 97449772
N,N-dimethyl-2-[1-oxo-8-(pyrazine-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide
CID 97370251
N,N-dimethyl-2-[1-oxo-8-(pyridine-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide
CID 97370254
2-(1'-ethylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N,N-dimethylacetamide
CID 131646499
N,N-dimethyl-2-[(5R)-9-[(1-methylpyrrol-2-yl)methyl]-1-oxo-2,9-diazaspiro[4.5]decan-2-yl]acetamide
CID 97490012
2-ethyl-2-azaspiro[4.4]nonan-1-one
CID 142262093
N,N-dimethyl-1-oxo-2-prop-2-enyl-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 97370234
2-[(4S)-1'-ethylsulfonylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N,N-dimethylacetamide
CID 97376317
N,N-diethyl-2-(1'-ethylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetamide
CID 131651770
1-(3-ethylsulfonyl-3,9-diazaspiro[5.5]undecan-9-yl)ethanone
CID 168923326
7-ethylsulfonyl-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 131659144

Frequently Asked Questions

What is the IUPAC name of 2-(8-ethylsulfonyl-1-oxo-2,8-diazaspiro[4.5]decan-2-yl)-N,N-dimethylacetamide?
The IUPAC name of 2-(8-ethylsulfonyl-1-oxo-2,8-diazaspiro[4.5]decan-2-yl)-N,N-dimethylacetamide (CID 97370260) is 2-(8-ethylsulfonyl-1-oxo-2,8-diazaspiro[4.5]decan-2-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(8-ethylsulfonyl-1-oxo-2,8-diazaspiro[4.5]decan-2-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(8-ethylsulfonyl-1-oxo-2,8-diazaspiro[4.5]decan-2-yl)-N,N-dimethylacetamide is CCS(=O)(=O)N1CCC2(CCN(CC(=O)N(C)C)C2=O)CC1.
What is the InChIKey of 2-(8-ethylsulfonyl-1-oxo-2,8-diazaspiro[4.5]decan-2-yl)-N,N-dimethylacetamide?
The InChIKey is CVCUXSNRZKVWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4S/c1-4-22(20,21)17-9-6-14(7-10-17)5-8-16(13(14)19)11-12(18)15(2)3/h4-11H2,1-3H3.
What are the key properties of 2-(8-ethylsulfonyl-1-oxo-2,8-diazaspiro[4.5]decan-2-yl)-N,N-dimethylacetamide?
2-(8-ethylsulfonyl-1-oxo-2,8-diazaspiro[4.5]decan-2-yl)-N,N-dimethylacetamide has a molecular weight of 331.44 g/mol, XLogP of -0.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-ethylsulfonyl-1-oxo-2,8-diazaspiro[4.5]decan-2-yl)-N,N-dimethylacetamide is sourced from PubChem (CID 97370260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).