4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide

C15H22N2O3S — CID 801369

IUPAC4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C15H22N2O3S/c1-12-3-5-14(6-4-12)21(19,20)16-11-15(18)17-9-7-13(2)8-10-17/h3-6,13,16H,7-11H2,1-2H3
InChIKeyMMIYRBGHDIXIDP-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.53
Rot. Bonds4

About 4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide

4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide (PubChem CID 801369) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
PubChem CID801369
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C15H22N2O3S/c1-12-3-5-14(6-4-12)21(19,20)16-11-15(18)17-9-7-13(2)8-10-17/h3-6,13,16H,7-11H2,1-2H3
InChIKeyMMIYRBGHDIXIDP-UHFFFAOYSA-N
XLogP1.53
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide (CID 801369) is 4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCC(=O)N2CCC(C)CC2)cc1.
What is the InChIKey of 4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide?
The InChIKey is MMIYRBGHDIXIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-12-3-5-14(6-4-12)21(19,20)16-11-15(18)17-9-7-13(2)8-10-17/h3-6,13,16H,7-11H2,1-2H3.
What are the key properties of 4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide?
4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide has a molecular weight of 310.42 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide is sourced from PubChem (CID 801369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).