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

C16H26N2O3S — CID 16887463

IUPAC2-methoxy-4,5-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)NCC1CCN(C)CC1
InChIInChI=1S/C16H26N2O3S/c1-12-9-15(21-4)16(10-13(12)2)22(19,20)17-11-14-5-7-18(3)8-6-14/h9-10,14,17H,5-8,11H2,1-4H3
InChIKeyBWQLXUSUVUBLIU-UHFFFAOYSA-N
MW326.46 g/mol
LogP1.93
Rot. Bonds5

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

2-methoxy-4,5-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide (PubChem CID 16887463) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is 2-methoxy-4,5-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-4,5-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
PubChem CID16887463
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC Name2-methoxy-4,5-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)NCC1CCN(C)CC1
InChIInChI=1S/C16H26N2O3S/c1-12-9-15(21-4)16(10-13(12)2)22(19,20)17-11-14-5-7-18(3)8-6-14/h9-10,14,17H,5-8,11H2,1-4H3
InChIKeyBWQLXUSUVUBLIU-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-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]benzenesulfonamide
CID 100683378
2-methoxy-4,5-dimethyl-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 91624844
2-amino-4,5-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 60856568
3,4-dimethoxy-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887427
5-methoxy-2,4-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]benzenesulfonamide
CID 56756292
5-(aminomethyl)-2-methyl-N-[(1-methylpiperidin-4-yl)methyl]furan-3-sulfonamide
CID 106052876
3-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887449
N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 108573631
5-amino-2-methoxy-4-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 79962057
4-(aminomethyl)-2-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 106052902
2-methoxy-4,5-dimethyl-N-(2-methylpropyl)benzenesulfonamide
CID 43845640
N-(cyclohexylmethyl)-2-methoxy-5-methylbenzenesulfonamide
CID 142023630

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4,5-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-methoxy-4,5-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide (CID 16887463) is 2-methoxy-4,5-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-4,5-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-4,5-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide is COc1cc(C)c(C)cc1S(=O)(=O)NCC1CCN(C)CC1.
What is the InChIKey of 2-methoxy-4,5-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide?
The InChIKey is BWQLXUSUVUBLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-12-9-15(21-4)16(10-13(12)2)22(19,20)17-11-14-5-7-18(3)8-6-14/h9-10,14,17H,5-8,11H2,1-4H3.
What are the key properties of 2-methoxy-4,5-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide?
2-methoxy-4,5-dimethyl-N-[(1-methylpiperidin-4-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 2-methoxy-4,5-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 16887463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).