N-methyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide

C13H20N2O2S — CID 64587065

IUPACN-methyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide
SMILESCN1CCCC(N(C)S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C13H20N2O2S/c1-14-10-6-7-12(11-14)15(2)18(16,17)13-8-4-3-5-9-13/h3-5,8-9,12H,6-7,10-11H2,1-2H3
InChIKeyCZJACYRIYYCHSX-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.40
Rot. Bonds3

About N-methyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide

N-methyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide (PubChem CID 64587065) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-methyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide
PubChem CID64587065
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN-methyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide
SMILESCN1CCCC(N(C)S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C13H20N2O2S/c1-14-10-6-7-12(11-14)15(2)18(16,17)13-8-4-3-5-9-13/h3-5,8-9,12H,6-7,10-11H2,1-2H3
InChIKeyCZJACYRIYYCHSX-UHFFFAOYSA-N
XLogP1.40
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide
CID 62547305
N-methyl-4-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)benzenesulfonamide
CID 62545781
4-[methyl-(1-methylpiperidin-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 62546053
4-amino-N-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]benzenesulfonamide
CID 129391721
(E)-N-methyl-N-[(3R)-1-methylpiperidin-3-yl]-2-phenylethenesulfonamide
CID 98526139
2-[methyl-(1-methylpiperidin-3-yl)sulfamoyl]benzenecarbothioamide
CID 62546273
3-amino-N,2-dimethyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide
CID 62547629
N-methyl-N-(1-methylpiperidin-4-yl)-4-phenylbenzenesulfonamide
CID 57398674
4-amino-N,2-dimethyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide
CID 62545685
N-methyl-N-(1-methylpiperidin-3-yl)propane-2-sulfonamide
CID 64586876
N-benzyl-N,1-dimethylpiperidin-3-amine;ethane
CID 142272680
5-amino-2-bromo-N-methyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide
CID 65206502

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide?
The IUPAC name of N-methyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide (CID 64587065) is N-methyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide.
What is the SMILES notation for N-methyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide?
The canonical SMILES for N-methyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide is CN1CCCC(N(C)S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of N-methyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide?
The InChIKey is CZJACYRIYYCHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-14-10-6-7-12(11-14)15(2)18(16,17)13-8-4-3-5-9-13/h3-5,8-9,12H,6-7,10-11H2,1-2H3.
What are the key properties of N-methyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide?
N-methyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide has a molecular weight of 268.38 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 64587065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).