N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-methylbenzenesulfonamide

C16H26N2O3S — CID 16887617

IUPACN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-methylbenzenesulfonamide
SMILESCOCCN1CCC(CNS(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C16H26N2O3S/c1-14-3-5-16(6-4-14)22(19,20)17-13-15-7-9-18(10-8-15)11-12-21-2/h3-6,15,17H,7-13H2,1-2H3
InChIKeyLACNAXLYQQJDQN-UHFFFAOYSA-N
MW326.46 g/mol
LogP1.63
Rot. Bonds7

About N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-methylbenzenesulfonamide

N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-methylbenzenesulfonamide (PubChem CID 16887617) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-methylbenzenesulfonamide
PubChem CID16887617
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC NameN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-methylbenzenesulfonamide
SMILESCOCCN1CCC(CNS(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C16H26N2O3S/c1-14-3-5-16(6-4-14)22(19,20)17-13-15-7-9-18(10-8-15)11-12-21-2/h3-6,15,17H,7-13H2,1-2H3
InChIKeyLACNAXLYQQJDQN-UHFFFAOYSA-N
XLogP1.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-methylbenzenesulfonamide (CID 16887617) is N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-methylbenzenesulfonamide is COCCN1CCC(CNS(=O)(=O)c2ccc(C)cc2)CC1.
What is the InChIKey of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-methylbenzenesulfonamide?
The InChIKey is LACNAXLYQQJDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-14-3-5-16(6-4-14)22(19,20)17-13-15-7-9-18(10-8-15)11-12-21-2/h3-6,15,17H,7-13H2,1-2H3.
What are the key properties of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-methylbenzenesulfonamide?
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-methylbenzenesulfonamide has a molecular weight of 326.46 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 16887617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).