2-[(3R)-3-methylpiperidin-1-ium-1-yl]-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide

C20H32N3O3S+ — CID 7116551

IUPAC2-[(3R)-3-methylpiperidin-1-ium-1-yl]-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
SMILESC[C@@H]1CCC[NH+](CC(=O)Nc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)C1
InChIInChI=1S/C20H31N3O3S/c1-16-5-3-11-22(13-16)15-20(24)21-18-7-9-19(10-8-18)27(25,26)23-12-4-6-17(2)14-23/h7-10,16-17H,3-6,11-15H2,1-2H3,(H,21,24)/p+1/t16-,17+/m1/s1
InChIKeyOUHMGAOKLXUNEJ-SJORKVTESA-O
MW394.56 g/mol
LogP1.36
Rot. Bonds5

About 2-[(3R)-3-methylpiperidin-1-ium-1-yl]-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide

2-[(3R)-3-methylpiperidin-1-ium-1-yl]-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide (PubChem CID 7116551) has the molecular formula C20H32N3O3S+ and a molecular weight of 394.56 g/mol. Its IUPAC name is 2-[(3R)-3-methylpiperidin-1-ium-1-yl]-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound Name2-[(3R)-3-methylpiperidin-1-ium-1-yl]-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
PubChem CID7116551
Molecular FormulaC20H32N3O3S+
Molecular Weight394.56 g/mol
Exact Mass394.22
IUPAC Name2-[(3R)-3-methylpiperidin-1-ium-1-yl]-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
SMILESC[C@@H]1CCC[NH+](CC(=O)Nc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)C1
InChIInChI=1S/C20H31N3O3S/c1-16-5-3-11-22(13-16)15-20(24)21-18-7-9-19(10-8-18)27(25,26)23-12-4-6-17(2)14-23/h7-10,16-17H,3-6,11-15H2,1-2H3,(H,21,24)/p+1/t16-,17+/m1/s1
InChIKeyOUHMGAOKLXUNEJ-SJORKVTESA-O
XLogP1.36
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(3R)-3-methylpiperidin-1-ium-1-yl]-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3R)-3-methylpiperidin-1-ium-1-yl]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 7434576
N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743584
N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743581
2-[(3R)-3-methylpiperidin-1-ium-1-yl]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 8903503
2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 8903505
2-(4-methylpiperidin-1-ium-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 7471841
N-(4-acetamidophenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide
CID 8903579
2-(4-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 17312033
2-(4-fluorophenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 17311952
N-[4-(cyclohexylsulfamoyl)phenyl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide
CID 6972133
2-cyclohexyloxy-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 51958298
N-[4-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylanilino]-4-oxobutyl]furan-2-carboxamide
CID 29443018

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-methylpiperidin-1-ium-1-yl]-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of 2-[(3R)-3-methylpiperidin-1-ium-1-yl]-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide (CID 7116551) is 2-[(3R)-3-methylpiperidin-1-ium-1-yl]-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for 2-[(3R)-3-methylpiperidin-1-ium-1-yl]-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for 2-[(3R)-3-methylpiperidin-1-ium-1-yl]-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide is C[C@@H]1CCC[NH+](CC(=O)Nc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)C1.
What is the InChIKey of 2-[(3R)-3-methylpiperidin-1-ium-1-yl]-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is OUHMGAOKLXUNEJ-SJORKVTESA-O. The full InChI is InChI=1S/C20H31N3O3S/c1-16-5-3-11-22(13-16)15-20(24)21-18-7-9-19(10-8-18)27(25,26)23-12-4-6-17(2)14-23/h7-10,16-17H,3-6,11-15H2,1-2H3,(H,21,24)/p+1/t16-,17+/m1/s1.
What are the key properties of 2-[(3R)-3-methylpiperidin-1-ium-1-yl]-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide?
2-[(3R)-3-methylpiperidin-1-ium-1-yl]-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 394.56 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-methylpiperidin-1-ium-1-yl]-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 7116551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).