N-[[1-(2-ethoxyacetyl)piperidin-3-yl]methyl]methanesulfonamide

C11H22N2O4S — CID 60776412

IUPACN-[[1-(2-ethoxyacetyl)piperidin-3-yl]methyl]methanesulfonamide
SMILESCCOCC(=O)N1CCCC(CNS(C)(=O)=O)C1
InChIInChI=1S/C11H22N2O4S/c1-3-17-9-11(14)13-6-4-5-10(8-13)7-12-18(2,15)16/h10,12H,3-9H2,1-2H3
InChIKeyRUERBCQMUKNTNX-UHFFFAOYSA-N
MW278.37 g/mol
LogP-0.19
Rot. Bonds6

About N-[[1-(2-ethoxyacetyl)piperidin-3-yl]methyl]methanesulfonamide

N-[[1-(2-ethoxyacetyl)piperidin-3-yl]methyl]methanesulfonamide (PubChem CID 60776412) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is N-[[1-(2-ethoxyacetyl)piperidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-(2-ethoxyacetyl)piperidin-3-yl]methyl]methanesulfonamide
PubChem CID60776412
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC NameN-[[1-(2-ethoxyacetyl)piperidin-3-yl]methyl]methanesulfonamide
SMILESCCOCC(=O)N1CCCC(CNS(C)(=O)=O)C1
InChIInChI=1S/C11H22N2O4S/c1-3-17-9-11(14)13-6-4-5-10(8-13)7-12-18(2,15)16/h10,12H,3-9H2,1-2H3
InChIKeyRUERBCQMUKNTNX-UHFFFAOYSA-N
XLogP-0.19
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(3S)-1-(2-phenylmethoxyacetyl)piperidin-3-yl]methyl]methanesulfonamide
CID 94029580
2-ethoxy-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 62372171
1-(3-ethoxypropanoyl)-3-[(sulfamoylamino)methyl]piperidine
CID 55091158
1-[3-(2-chloroethyl)piperidin-1-yl]-2-ethoxyethanone
CID 63396138
1-[3-(2-bromoethyl)piperidin-1-yl]-2-ethoxyethanone
CID 80669330
N-[[1-[2-(azetidin-3-yl)acetyl]piperidin-3-yl]methyl]methanesulfonamide
CID 64609955
1-(2-propan-2-yloxyacetyl)-3-[(sulfamoylamino)methyl]piperidine
CID 112692537
N-[[1-[(2S,3S)-2-amino-3-methylpentanoyl]piperidin-3-yl]methyl]methanesulfonamide
CID 61163603
N-[[1-(1-methylcyclopropanecarbonyl)piperidin-3-yl]methyl]methanesulfonamide
CID 136514848
2-(2-methoxyethoxy)-1-[3-(methylaminomethyl)piperidin-1-yl]ethanone
CID 113265212
N-[[(3R)-1-[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]piperidin-3-yl]methyl]methanesulfonamide
CID 98750463
N-[[1-(3-amino-2,2-dimethylpropanoyl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride
CID 119722478

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-ethoxyacetyl)piperidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-(2-ethoxyacetyl)piperidin-3-yl]methyl]methanesulfonamide (CID 60776412) is N-[[1-(2-ethoxyacetyl)piperidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-(2-ethoxyacetyl)piperidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-(2-ethoxyacetyl)piperidin-3-yl]methyl]methanesulfonamide is CCOCC(=O)N1CCCC(CNS(C)(=O)=O)C1.
What is the InChIKey of N-[[1-(2-ethoxyacetyl)piperidin-3-yl]methyl]methanesulfonamide?
The InChIKey is RUERBCQMUKNTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-3-17-9-11(14)13-6-4-5-10(8-13)7-12-18(2,15)16/h10,12H,3-9H2,1-2H3.
What are the key properties of N-[[1-(2-ethoxyacetyl)piperidin-3-yl]methyl]methanesulfonamide?
N-[[1-(2-ethoxyacetyl)piperidin-3-yl]methyl]methanesulfonamide has a molecular weight of 278.37 g/mol, XLogP of -0.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-ethoxyacetyl)piperidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 60776412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).