N-ethyl-4-[2-(methylamino)-2-oxoethyl]sulfonylpiperidine-1-carboxamide

C11H21N3O4S — CID 90592778

IUPACN-ethyl-4-[2-(methylamino)-2-oxoethyl]sulfonylpiperidine-1-carboxamide
SMILESCCNC(=O)N1CCC(S(=O)(=O)CC(=O)NC)CC1
InChIInChI=1S/C11H21N3O4S/c1-3-13-11(16)14-6-4-9(5-7-14)19(17,18)8-10(15)12-2/h9H,3-8H2,1-2H3,(H,12,15)(H,13,16)
InChIKeyAYGHQODTHYEXCE-UHFFFAOYSA-N
MW291.37 g/mol
LogP-0.66
Rot. Bonds4

About N-ethyl-4-[2-(methylamino)-2-oxoethyl]sulfonylpiperidine-1-carboxamide

N-ethyl-4-[2-(methylamino)-2-oxoethyl]sulfonylpiperidine-1-carboxamide (PubChem CID 90592778) has the molecular formula C11H21N3O4S and a molecular weight of 291.37 g/mol. Its IUPAC name is N-ethyl-4-[2-(methylamino)-2-oxoethyl]sulfonylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-[2-(methylamino)-2-oxoethyl]sulfonylpiperidine-1-carboxamide
PubChem CID90592778
Molecular FormulaC11H21N3O4S
Molecular Weight291.37 g/mol
Exact Mass291.13
IUPAC NameN-ethyl-4-[2-(methylamino)-2-oxoethyl]sulfonylpiperidine-1-carboxamide
SMILESCCNC(=O)N1CCC(S(=O)(=O)CC(=O)NC)CC1
InChIInChI=1S/C11H21N3O4S/c1-3-13-11(16)14-6-4-9(5-7-14)19(17,18)8-10(15)12-2/h9H,3-8H2,1-2H3,(H,12,15)(H,13,16)
InChIKeyAYGHQODTHYEXCE-UHFFFAOYSA-N
XLogP-0.66
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2-cyanoacetyl)piperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592698
2-(1-cyclohexylsulfonylpiperidin-4-yl)sulfonyl-N-methylacetamide
CID 90592811
2-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592548
2-[1-(4-methoxybenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592519
2-[1-(4-butoxybenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592559
N-methyl-2-[1-(3-methylbenzoyl)piperidin-4-yl]sulfonylacetamide
CID 90592749
N-methyl-2-[1-(pyridine-3-carbonyl)piperidin-4-yl]sulfonylacetamide
CID 90592506
2-[1-(3-iodobenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592768
N,4-diethylazepane-1-carboxamide
CID 89043568
N-methyl-2-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]sulfonylacetamide
CID 90592518
2-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592529
2-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592550

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[2-(methylamino)-2-oxoethyl]sulfonylpiperidine-1-carboxamide?
The IUPAC name of N-ethyl-4-[2-(methylamino)-2-oxoethyl]sulfonylpiperidine-1-carboxamide (CID 90592778) is N-ethyl-4-[2-(methylamino)-2-oxoethyl]sulfonylpiperidine-1-carboxamide.
What is the SMILES notation for N-ethyl-4-[2-(methylamino)-2-oxoethyl]sulfonylpiperidine-1-carboxamide?
The canonical SMILES for N-ethyl-4-[2-(methylamino)-2-oxoethyl]sulfonylpiperidine-1-carboxamide is CCNC(=O)N1CCC(S(=O)(=O)CC(=O)NC)CC1.
What is the InChIKey of N-ethyl-4-[2-(methylamino)-2-oxoethyl]sulfonylpiperidine-1-carboxamide?
The InChIKey is AYGHQODTHYEXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4S/c1-3-13-11(16)14-6-4-9(5-7-14)19(17,18)8-10(15)12-2/h9H,3-8H2,1-2H3,(H,12,15)(H,13,16).
What are the key properties of N-ethyl-4-[2-(methylamino)-2-oxoethyl]sulfonylpiperidine-1-carboxamide?
N-ethyl-4-[2-(methylamino)-2-oxoethyl]sulfonylpiperidine-1-carboxamide has a molecular weight of 291.37 g/mol, XLogP of -0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[2-(methylamino)-2-oxoethyl]sulfonylpiperidine-1-carboxamide is sourced from PubChem (CID 90592778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).