4-[4-(methoxymethyl)piperidin-1-yl]sulfonyl-N-methylaniline

C14H22N2O3S — CID 63979413

IUPAC4-[4-(methoxymethyl)piperidin-1-yl]sulfonyl-N-methylaniline
SMILESCNc1ccc(S(=O)(=O)N2CCC(COC)CC2)cc1
InChIInChI=1S/C14H22N2O3S/c1-15-13-3-5-14(6-4-13)20(17,18)16-9-7-12(8-10-16)11-19-2/h3-6,12,15H,7-11H2,1-2H3
InChIKeyMWNHWWBYVYGUNL-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.78
Rot. Bonds5

About 4-[4-(methoxymethyl)piperidin-1-yl]sulfonyl-N-methylaniline

4-[4-(methoxymethyl)piperidin-1-yl]sulfonyl-N-methylaniline (PubChem CID 63979413) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 4-[4-(methoxymethyl)piperidin-1-yl]sulfonyl-N-methylaniline.

Molecular Properties

Compound Name4-[4-(methoxymethyl)piperidin-1-yl]sulfonyl-N-methylaniline
PubChem CID63979413
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name4-[4-(methoxymethyl)piperidin-1-yl]sulfonyl-N-methylaniline
SMILESCNc1ccc(S(=O)(=O)N2CCC(COC)CC2)cc1
InChIInChI=1S/C14H22N2O3S/c1-15-13-3-5-14(6-4-13)20(17,18)16-9-7-12(8-10-16)11-19-2/h3-6,12,15H,7-11H2,1-2H3
InChIKeyMWNHWWBYVYGUNL-UHFFFAOYSA-N
XLogP1.78
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[4-(methoxymethyl)piperidin-1-yl]sulfonyl-N-methylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-fluorophenyl)sulfonyl-4-(methoxymethyl)piperidine
CID 63978614
1-(benzenesulfonyl)-4-(methoxymethyl)piperidine
CID 63999066
N,N-dimethyl-1-[4-(methylamino)phenyl]sulfonylpiperidin-4-amine
CID 43586342
4-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylaniline
CID 64570002
4-(azepan-1-ylsulfonyl)-N-methylaniline
CID 43154646
4-(azocan-1-ylsulfonyl)-N-methylaniline
CID 43332108
N-ethyl-4-[3-(methoxymethyl)piperidin-1-yl]sulfonylaniline
CID 106588733
N-[4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 119978149
4-(3-ethylpiperidin-1-yl)sulfonyl-N-methylaniline
CID 43584842
1-[4-[4-(methoxymethyl)piperidin-1-yl]sulfonylphenyl]-3-(pyridin-3-ylmethyl)urea
CID 66610612
O-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]hydroxylamine
CID 39390371
tert-butyl N-[1-[4-(methylamino)phenyl]sulfonylpiperidin-4-yl]carbamate
CID 71060136

Frequently Asked Questions

What is the IUPAC name of 4-[4-(methoxymethyl)piperidin-1-yl]sulfonyl-N-methylaniline?
The IUPAC name of 4-[4-(methoxymethyl)piperidin-1-yl]sulfonyl-N-methylaniline (CID 63979413) is 4-[4-(methoxymethyl)piperidin-1-yl]sulfonyl-N-methylaniline.
What is the SMILES notation for 4-[4-(methoxymethyl)piperidin-1-yl]sulfonyl-N-methylaniline?
The canonical SMILES for 4-[4-(methoxymethyl)piperidin-1-yl]sulfonyl-N-methylaniline is CNc1ccc(S(=O)(=O)N2CCC(COC)CC2)cc1.
What is the InChIKey of 4-[4-(methoxymethyl)piperidin-1-yl]sulfonyl-N-methylaniline?
The InChIKey is MWNHWWBYVYGUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-15-13-3-5-14(6-4-13)20(17,18)16-9-7-12(8-10-16)11-19-2/h3-6,12,15H,7-11H2,1-2H3.
What are the key properties of 4-[4-(methoxymethyl)piperidin-1-yl]sulfonyl-N-methylaniline?
4-[4-(methoxymethyl)piperidin-1-yl]sulfonyl-N-methylaniline has a molecular weight of 298.41 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(methoxymethyl)piperidin-1-yl]sulfonyl-N-methylaniline is sourced from PubChem (CID 63979413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).