5-methoxy-2,4-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]benzenesulfonamide

C16H26N2O3S — CID 56756292

IUPAC5-methoxy-2,4-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NCC2CCCN(C)C2)c(C)cc1C
InChIInChI=1S/C16H26N2O3S/c1-12-8-13(2)16(9-15(12)21-4)22(19,20)17-10-14-6-5-7-18(3)11-14/h8-9,14,17H,5-7,10-11H2,1-4H3
InChIKeyMOBHUFOVKBLEFF-UHFFFAOYSA-N
MW326.46 g/mol
LogP1.93
Rot. Bonds5

About 5-methoxy-2,4-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]benzenesulfonamide

5-methoxy-2,4-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]benzenesulfonamide (PubChem CID 56756292) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is 5-methoxy-2,4-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name5-methoxy-2,4-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]benzenesulfonamide
PubChem CID56756292
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC Name5-methoxy-2,4-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NCC2CCCN(C)C2)c(C)cc1C
InChIInChI=1S/C16H26N2O3S/c1-12-8-13(2)16(9-15(12)21-4)22(19,20)17-10-14-6-5-7-18(3)11-14/h8-9,14,17H,5-7,10-11H2,1-4H3
InChIKeyMOBHUFOVKBLEFF-UHFFFAOYSA-N
XLogP1.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-4,5-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887463
2-ethoxy-5-methyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]benzenesulfonamide
CID 95187888
2-amino-4,5-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 60856568
2-(methylamino)-N-[(1-methylpiperidin-3-yl)methyl]benzenesulfonamide
CID 62159127
N-[(1-methylpiperidin-3-yl)methyl]thiophene-2-sulfonamide
CID 142818973
4-methoxy-2-methyl-N-(piperidin-3-ylmethyl)-5-propan-2-ylbenzenesulfonamide
CID 120707882
N-(cyclohexylmethyl)-2-methoxy-5-methylbenzenesulfonamide
CID 142023630
3-amino-4-methoxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 60857223
2-(methylaminomethyl)-N-[(1-methylpiperidin-3-yl)methyl]thiophene-3-sulfonamide
CID 106050570
4-methoxy-3-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]aniline
CID 79610681
N-(cyclopropylmethyl)-2-fluoro-4,5-dimethoxybenzenesulfonamide
CID 35324081
5-methoxy-2,4-dimethyl-N-prop-2-enylbenzenesulfonamide
CID 27261539

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2,4-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 5-methoxy-2,4-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]benzenesulfonamide (CID 56756292) is 5-methoxy-2,4-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 5-methoxy-2,4-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 5-methoxy-2,4-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]benzenesulfonamide is COc1cc(S(=O)(=O)NCC2CCCN(C)C2)c(C)cc1C.
What is the InChIKey of 5-methoxy-2,4-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]benzenesulfonamide?
The InChIKey is MOBHUFOVKBLEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-12-8-13(2)16(9-15(12)21-4)22(19,20)17-10-14-6-5-7-18(3)11-14/h8-9,14,17H,5-7,10-11H2,1-4H3.
What are the key properties of 5-methoxy-2,4-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]benzenesulfonamide?
5-methoxy-2,4-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]benzenesulfonamide has a molecular weight of 326.46 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2,4-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 56756292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).