2-(3,5-dimethylpiperidin-1-ium-1-yl)-N-(4-sulfamoylphenyl)acetamide

C15H24N3O3S+ — CID 5084841

IUPAC2-(3,5-dimethylpiperidin-1-ium-1-yl)-N-(4-sulfamoylphenyl)acetamide
SMILESCC1CC(C)C[NH+](CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1
InChIInChI=1S/C15H23N3O3S/c1-11-7-12(2)9-18(8-11)10-15(19)17-13-3-5-14(6-4-13)22(16,20)21/h3-6,11-12H,7-10H2,1-2H3,(H,17,19)(H2,16,20,21)/p+1
InChIKeyBNZHPFUXYCHQOY-UHFFFAOYSA-O
MW326.44 g/mol
LogP-0.17
Rot. Bonds4

About 2-(3,5-dimethylpiperidin-1-ium-1-yl)-N-(4-sulfamoylphenyl)acetamide

2-(3,5-dimethylpiperidin-1-ium-1-yl)-N-(4-sulfamoylphenyl)acetamide (PubChem CID 5084841) has the molecular formula C15H24N3O3S+ and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-(3,5-dimethylpiperidin-1-ium-1-yl)-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylpiperidin-1-ium-1-yl)-N-(4-sulfamoylphenyl)acetamide
PubChem CID5084841
Molecular FormulaC15H24N3O3S+
Molecular Weight326.44 g/mol
Exact Mass326.15
IUPAC Name2-(3,5-dimethylpiperidin-1-ium-1-yl)-N-(4-sulfamoylphenyl)acetamide
SMILESCC1CC(C)C[NH+](CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1
InChIInChI=1S/C15H23N3O3S/c1-11-7-12(2)9-18(8-11)10-15(19)17-13-3-5-14(6-4-13)22(16,20)21/h3-6,11-12H,7-10H2,1-2H3,(H,17,19)(H2,16,20,21)/p+1
InChIKeyBNZHPFUXYCHQOY-UHFFFAOYSA-O
XLogP-0.17
TPSA93.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2576005
2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 7925830
ethyl 4-[[2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]benzoate
CID 8930587
2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(3-methylsulfonylphenyl)acetamide
CID 8541550
N-(1,3-benzodioxol-5-yl)-2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide
CID 8930384
2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(phenylcarbamoyl)acetamide
CID 8540741
(3S,5S)-3,5-dimethyl-N-(4-sulfamoylphenyl)piperidine-1-carboxamide
CID 40794398
2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(phenylcarbamoyl)acetamide
CID 8540748
N-(3-acetylphenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide
CID 8930165
4-[[2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 8930945
N-(4-acetamidophenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide
CID 8903579
2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(2-iodophenyl)acetamide
CID 8930854

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpiperidin-1-ium-1-yl)-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-(3,5-dimethylpiperidin-1-ium-1-yl)-N-(4-sulfamoylphenyl)acetamide (CID 5084841) is 2-(3,5-dimethylpiperidin-1-ium-1-yl)-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-(3,5-dimethylpiperidin-1-ium-1-yl)-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-(3,5-dimethylpiperidin-1-ium-1-yl)-N-(4-sulfamoylphenyl)acetamide is CC1CC(C)C[NH+](CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1.
What is the InChIKey of 2-(3,5-dimethylpiperidin-1-ium-1-yl)-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is BNZHPFUXYCHQOY-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H23N3O3S/c1-11-7-12(2)9-18(8-11)10-15(19)17-13-3-5-14(6-4-13)22(16,20)21/h3-6,11-12H,7-10H2,1-2H3,(H,17,19)(H2,16,20,21)/p+1.
What are the key properties of 2-(3,5-dimethylpiperidin-1-ium-1-yl)-N-(4-sulfamoylphenyl)acetamide?
2-(3,5-dimethylpiperidin-1-ium-1-yl)-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 326.44 g/mol, XLogP of -0.17, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpiperidin-1-ium-1-yl)-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 5084841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).