3-acetyl-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide

C15H22N2O3S — CID 106630402

IUPAC3-acetyl-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)N(C)CC2CCCCN2)c1
InChIInChI=1S/C15H22N2O3S/c1-12(18)13-6-5-8-15(10-13)21(19,20)17(2)11-14-7-3-4-9-16-14/h5-6,8,10,14,16H,3-4,7,9,11H2,1-2H3
InChIKeyJTMJGLHXIJRWJV-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.65
Rot. Bonds5

About 3-acetyl-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide

3-acetyl-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide (PubChem CID 106630402) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 3-acetyl-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
PubChem CID106630402
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name3-acetyl-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)N(C)CC2CCCCN2)c1
InChIInChI=1S/C15H22N2O3S/c1-12(18)13-6-5-8-15(10-13)21(19,20)17(2)11-14-7-3-4-9-16-14/h5-6,8,10,14,16H,3-4,7,9,11H2,1-2H3
InChIKeyJTMJGLHXIJRWJV-UHFFFAOYSA-N
XLogP1.65
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 63274742
3-acetyl-N-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
CID 110604973
N,3,5-trimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106607033
2-chloro-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630491
N-methyl-4-nitro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106607399
3-acetyl-N-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 43272373
5-fluoro-N-methyl-N-(piperidin-2-ylmethyl)pyridine-3-sulfonamide
CID 106630495
N-(3-acetylphenyl)-3-piperidin-2-ylpropanamide
CID 62210606
4-hydroxy-N-methyl-3-nitro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106607126
3-chloro-4-cyano-N-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106607226
3-chloro-2-fluoro-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630423
3-(dimethylamino)-N-methyl-N-(piperidin-2-ylmethyl)benzamide
CID 106627555

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-acetyl-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide (CID 106630402) is 3-acetyl-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide is CC(=O)c1cccc(S(=O)(=O)N(C)CC2CCCCN2)c1.
What is the InChIKey of 3-acetyl-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide?
The InChIKey is JTMJGLHXIJRWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-12(18)13-6-5-8-15(10-13)21(19,20)17(2)11-14-7-3-4-9-16-14/h5-6,8,10,14,16H,3-4,7,9,11H2,1-2H3.
What are the key properties of 3-acetyl-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide?
3-acetyl-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide has a molecular weight of 310.42 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106630402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).