1-methyl-N-(1-piperidin-4-ylethyl)imidazole-4-sulfonamide

C11H20N4O2S — CID 62373780

IUPAC1-methyl-N-(1-piperidin-4-ylethyl)imidazole-4-sulfonamide
SMILESCC(NS(=O)(=O)c1cn(C)cn1)C1CCNCC1
InChIInChI=1S/C11H20N4O2S/c1-9(10-3-5-12-6-4-10)14-18(16,17)11-7-15(2)8-13-11/h7-10,12,14H,3-6H2,1-2H3
InChIKeyKFPSQGGNMGYYKA-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.09
Rot. Bonds4

About 1-methyl-N-(1-piperidin-4-ylethyl)imidazole-4-sulfonamide

1-methyl-N-(1-piperidin-4-ylethyl)imidazole-4-sulfonamide (PubChem CID 62373780) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 1-methyl-N-(1-piperidin-4-ylethyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-(1-piperidin-4-ylethyl)imidazole-4-sulfonamide
PubChem CID62373780
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC Name1-methyl-N-(1-piperidin-4-ylethyl)imidazole-4-sulfonamide
SMILESCC(NS(=O)(=O)c1cn(C)cn1)C1CCNCC1
InChIInChI=1S/C11H20N4O2S/c1-9(10-3-5-12-6-4-10)14-18(16,17)11-7-15(2)8-13-11/h7-10,12,14H,3-6H2,1-2H3
InChIKeyKFPSQGGNMGYYKA-UHFFFAOYSA-N
XLogP0.09
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(1-piperidin-4-ylethyl)imidazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-(1-piperidin-4-ylethyl)imidazole-4-sulfonamide (CID 62373780) is 1-methyl-N-(1-piperidin-4-ylethyl)imidazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-(1-piperidin-4-ylethyl)imidazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-(1-piperidin-4-ylethyl)imidazole-4-sulfonamide is CC(NS(=O)(=O)c1cn(C)cn1)C1CCNCC1.
What is the InChIKey of 1-methyl-N-(1-piperidin-4-ylethyl)imidazole-4-sulfonamide?
The InChIKey is KFPSQGGNMGYYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-9(10-3-5-12-6-4-10)14-18(16,17)11-7-15(2)8-13-11/h7-10,12,14H,3-6H2,1-2H3.
What are the key properties of 1-methyl-N-(1-piperidin-4-ylethyl)imidazole-4-sulfonamide?
1-methyl-N-(1-piperidin-4-ylethyl)imidazole-4-sulfonamide has a molecular weight of 272.37 g/mol, XLogP of 0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(1-piperidin-4-ylethyl)imidazole-4-sulfonamide is sourced from PubChem (CID 62373780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).