N-(2-methoxyethyl)-1-methylsulfonylpiperidine-3-carboxamide

C10H20N2O4S — CID 2992280

IUPACN-(2-methoxyethyl)-1-methylsulfonylpiperidine-3-carboxamide
SMILESCOCCNC(=O)C1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C10H20N2O4S/c1-16-7-5-11-10(13)9-4-3-6-12(8-9)17(2,14)15/h9H,3-8H2,1-2H3,(H,11,13)
InChIKeyYTOQYJZMEZCGOU-UHFFFAOYSA-N
MW264.35 g/mol
LogP-0.58
Rot. Bonds5

About N-(2-methoxyethyl)-1-methylsulfonylpiperidine-3-carboxamide

N-(2-methoxyethyl)-1-methylsulfonylpiperidine-3-carboxamide (PubChem CID 2992280) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-methylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-methylsulfonylpiperidine-3-carboxamide
PubChem CID2992280
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC NameN-(2-methoxyethyl)-1-methylsulfonylpiperidine-3-carboxamide
SMILESCOCCNC(=O)C1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C10H20N2O4S/c1-16-7-5-11-10(13)9-4-3-6-12(8-9)17(2,14)15/h9H,3-8H2,1-2H3,(H,11,13)
InChIKeyYTOQYJZMEZCGOU-UHFFFAOYSA-N
XLogP-0.58
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S)-N-(3-methoxypropyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 7030670
(3R)-1-(dimethylsulfamoyl)-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 28955789
methyl 3-[(1-methylsulfonylpiperidine-3-carbonyl)amino]propanoate
CID 60729585
N-(3-methylbutyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 3261210
(3R)-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 94122097
N-[2-(2-methoxyethylcarbamoyl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 132657722
(3R)-N-(2-methoxyethyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide
CID 39034326
1-(2-methoxyethylsulfonyl)-N-(3-methoxypropyl)piperidine-3-carboxamide
CID 110335830
N-[2-(2-methoxyethoxy)ethyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 55685553
(3S)-1-(4-tert-butylphenyl)sulfonyl-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 7441886
N-(2-methoxyethyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
CID 5058959
5-[(1-methylsulfonylpiperidine-3-carbonyl)amino]pentanoic acid
CID 62032860

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-methylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-1-methylsulfonylpiperidine-3-carboxamide (CID 2992280) is N-(2-methoxyethyl)-1-methylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-1-methylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-1-methylsulfonylpiperidine-3-carboxamide is COCCNC(=O)C1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of N-(2-methoxyethyl)-1-methylsulfonylpiperidine-3-carboxamide?
The InChIKey is YTOQYJZMEZCGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-16-7-5-11-10(13)9-4-3-6-12(8-9)17(2,14)15/h9H,3-8H2,1-2H3,(H,11,13).
What are the key properties of N-(2-methoxyethyl)-1-methylsulfonylpiperidine-3-carboxamide?
N-(2-methoxyethyl)-1-methylsulfonylpiperidine-3-carboxamide has a molecular weight of 264.35 g/mol, XLogP of -0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-methylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 2992280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).