N-methyl-N-(2-oxo-2-piperidin-1-ylethyl)-1H-imidazole-5-sulfonamide

C11H18N4O3S — CID 6620341

IUPACN-methyl-N-(2-oxo-2-piperidin-1-ylethyl)-1H-imidazole-5-sulfonamide
SMILESCN(CC(=O)N1CCCCC1)S(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C11H18N4O3S/c1-14(19(17,18)10-7-12-9-13-10)8-11(16)15-5-3-2-4-6-15/h7,9H,2-6,8H2,1H3,(H,12,13)
InChIKeyXHJWBHWXKIDILV-UHFFFAOYSA-N
MW286.36 g/mol
LogP0.04
Rot. Bonds4

About N-methyl-N-(2-oxo-2-piperidin-1-ylethyl)-1H-imidazole-5-sulfonamide

N-methyl-N-(2-oxo-2-piperidin-1-ylethyl)-1H-imidazole-5-sulfonamide (PubChem CID 6620341) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is N-methyl-N-(2-oxo-2-piperidin-1-ylethyl)-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(2-oxo-2-piperidin-1-ylethyl)-1H-imidazole-5-sulfonamide
PubChem CID6620341
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC NameN-methyl-N-(2-oxo-2-piperidin-1-ylethyl)-1H-imidazole-5-sulfonamide
SMILESCN(CC(=O)N1CCCCC1)S(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C11H18N4O3S/c1-14(19(17,18)10-7-12-9-13-10)8-11(16)15-5-3-2-4-6-15/h7,9H,2-6,8H2,1H3,(H,12,13)
InChIKeyXHJWBHWXKIDILV-UHFFFAOYSA-N
XLogP0.04
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-oxo-2-piperidin-1-ylethyl)-1H-imidazole-5-sulfonamide?
The IUPAC name of N-methyl-N-(2-oxo-2-piperidin-1-ylethyl)-1H-imidazole-5-sulfonamide (CID 6620341) is N-methyl-N-(2-oxo-2-piperidin-1-ylethyl)-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-methyl-N-(2-oxo-2-piperidin-1-ylethyl)-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-methyl-N-(2-oxo-2-piperidin-1-ylethyl)-1H-imidazole-5-sulfonamide is CN(CC(=O)N1CCCCC1)S(=O)(=O)c1cnc[nH]1.
What is the InChIKey of N-methyl-N-(2-oxo-2-piperidin-1-ylethyl)-1H-imidazole-5-sulfonamide?
The InChIKey is XHJWBHWXKIDILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-14(19(17,18)10-7-12-9-13-10)8-11(16)15-5-3-2-4-6-15/h7,9H,2-6,8H2,1H3,(H,12,13).
What are the key properties of N-methyl-N-(2-oxo-2-piperidin-1-ylethyl)-1H-imidazole-5-sulfonamide?
N-methyl-N-(2-oxo-2-piperidin-1-ylethyl)-1H-imidazole-5-sulfonamide has a molecular weight of 286.36 g/mol, XLogP of 0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-oxo-2-piperidin-1-ylethyl)-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 6620341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).