N,N-dimethyl-2-(8-methylsulfonyl-1-oxo-2,8-diazaspiro[4.5]decan-2-yl)acetamide

C13H23N3O4S — CID 97370259

IUPACN,N-dimethyl-2-(8-methylsulfonyl-1-oxo-2,8-diazaspiro[4.5]decan-2-yl)acetamide
SMILESCN(C)C(=O)CN1CCC2(CCN(S(C)(=O)=O)CC2)C1=O
InChIInChI=1S/C13H23N3O4S/c1-14(2)11(17)10-15-7-4-13(12(15)18)5-8-16(9-6-13)21(3,19)20/h4-10H2,1-3H3
InChIKeyRUAQZYVFIPCMAM-UHFFFAOYSA-N
MW317.41 g/mol
LogP-0.65
Rot. Bonds3

About N,N-dimethyl-2-(8-methylsulfonyl-1-oxo-2,8-diazaspiro[4.5]decan-2-yl)acetamide

N,N-dimethyl-2-(8-methylsulfonyl-1-oxo-2,8-diazaspiro[4.5]decan-2-yl)acetamide (PubChem CID 97370259) has the molecular formula C13H23N3O4S and a molecular weight of 317.41 g/mol. Its IUPAC name is N,N-dimethyl-2-(8-methylsulfonyl-1-oxo-2,8-diazaspiro[4.5]decan-2-yl)acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(8-methylsulfonyl-1-oxo-2,8-diazaspiro[4.5]decan-2-yl)acetamide
PubChem CID97370259
Molecular FormulaC13H23N3O4S
Molecular Weight317.41 g/mol
Exact Mass317.14
IUPAC NameN,N-dimethyl-2-(8-methylsulfonyl-1-oxo-2,8-diazaspiro[4.5]decan-2-yl)acetamide
SMILESCN(C)C(=O)CN1CCC2(CCN(S(C)(=O)=O)CC2)C1=O
InChIInChI=1S/C13H23N3O4S/c1-14(2)11(17)10-15-7-4-13(12(15)18)5-8-16(9-6-13)21(3,19)20/h4-10H2,1-3H3
InChIKeyRUAQZYVFIPCMAM-UHFFFAOYSA-N
XLogP-0.65
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 5-0.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(8-ethylsulfonyl-1-oxo-2,8-diazaspiro[4.5]decan-2-yl)-N,N-dimethylacetamide
CID 97370260
2-(8-cyclopropylsulfonyl-1-oxo-2,8-diazaspiro[4.5]decan-2-yl)-N,N-dimethylacetamide
CID 97370261
2-(1-Methanesulfonylpyrrolidin-3-YL)-1-[4-(2-methylpropyl)piperazin-1-YL]ethan-1-one
CID 124072265
(1-Methylsulfonylpiperidin-4-yl)-pyrrolidin-1-ylmethanone
CID 774896
4-Fluoro-1-methanesulfonyl-4-(pyrrolidine-1-carbonyl)piperidine
CID 124053462
1-[2-(4-Methylsulfonylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-one
CID 15622808
N-[4,4-dimethyl-2-oxo-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]-N-methylethanesulfonamide
CID 58787209
CID 58787255
CID 58787255
N,N,4-trimethyl-1-methylsulfonylpiperidine-4-carboxamide
CID 163233822
1-[2-[Methyl(methylsulfonyl)amino]acetyl]piperidine-4-carboxamide
CID 30464597
2-(2,5-dioxopyrrolidin-1-yl)-N-((1-(methylsulfonyl)piperidin-4-yl)methyl)acetamide
CID 49688231
1-{[1-(Methylsulfonyl)-4-piperidyl]carbonyl}pyrrolidine-2-carboxamide
CID 50878223

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(8-methylsulfonyl-1-oxo-2,8-diazaspiro[4.5]decan-2-yl)acetamide?
The IUPAC name of N,N-dimethyl-2-(8-methylsulfonyl-1-oxo-2,8-diazaspiro[4.5]decan-2-yl)acetamide (CID 97370259) is N,N-dimethyl-2-(8-methylsulfonyl-1-oxo-2,8-diazaspiro[4.5]decan-2-yl)acetamide.
What is the SMILES notation for N,N-dimethyl-2-(8-methylsulfonyl-1-oxo-2,8-diazaspiro[4.5]decan-2-yl)acetamide?
The canonical SMILES for N,N-dimethyl-2-(8-methylsulfonyl-1-oxo-2,8-diazaspiro[4.5]decan-2-yl)acetamide is CN(C)C(=O)CN1CCC2(CCN(S(C)(=O)=O)CC2)C1=O.
What is the InChIKey of N,N-dimethyl-2-(8-methylsulfonyl-1-oxo-2,8-diazaspiro[4.5]decan-2-yl)acetamide?
The InChIKey is RUAQZYVFIPCMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4S/c1-14(2)11(17)10-15-7-4-13(12(15)18)5-8-16(9-6-13)21(3,19)20/h4-10H2,1-3H3.
What are the key properties of N,N-dimethyl-2-(8-methylsulfonyl-1-oxo-2,8-diazaspiro[4.5]decan-2-yl)acetamide?
N,N-dimethyl-2-(8-methylsulfonyl-1-oxo-2,8-diazaspiro[4.5]decan-2-yl)acetamide has a molecular weight of 317.41 g/mol, XLogP of -0.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(8-methylsulfonyl-1-oxo-2,8-diazaspiro[4.5]decan-2-yl)acetamide is sourced from PubChem (CID 97370259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).