2-methoxy-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide

C16H24N2O4S — CID 47091483

IUPAC2-methoxy-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NCCC(=O)N1CCCC(C)C1
InChIInChI=1S/C16H24N2O4S/c1-13-6-5-11-18(12-13)16(19)9-10-17-23(20,21)15-8-4-3-7-14(15)22-2/h3-4,7-8,13,17H,5-6,9-12H2,1-2H3
InChIKeySTMSCYSVXDBIGW-UHFFFAOYSA-N
MW340.44 g/mol
LogP1.62
Rot. Bonds6

About 2-methoxy-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide

2-methoxy-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide (PubChem CID 47091483) has the molecular formula C16H24N2O4S and a molecular weight of 340.44 g/mol. Its IUPAC name is 2-methoxy-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
PubChem CID47091483
Molecular FormulaC16H24N2O4S
Molecular Weight340.44 g/mol
Exact Mass340.15
IUPAC Name2-methoxy-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NCCC(=O)N1CCCC(C)C1
InChIInChI=1S/C16H24N2O4S/c1-13-6-5-11-18(12-13)16(19)9-10-17-23(20,21)15-8-4-3-7-14(15)22-2/h3-4,7-8,13,17H,5-6,9-12H2,1-2H3
InChIKeySTMSCYSVXDBIGW-UHFFFAOYSA-N
XLogP1.62
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methoxy-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide 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

3-(2-methoxyanilino)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 109032853
2-methoxy-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzamide
CID 24818354
N-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]methanesulfonamide
CID 94809178
3-acetyl-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 51149463
N-[3-(3-aminopiperidin-1-yl)-3-oxopropyl]-2-fluorobenzenesulfonamide
CID 119381616
methyl 3-[(2-methoxyphenyl)sulfonylamino]propanoate
CID 60639551
2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)benzenesulfonamide
CID 115671903
3-(2-chloroanilino)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 109032840
N-[(2-methoxyphenyl)methyl]-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113119773
(3R)-1-[3-[(4-methoxyphenyl)sulfonylamino]propanoyl]piperidine-3-carboxylic acid
CID 94830904
N-[3-[3-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-3,4-dimethoxybenzenesulfonamide;hydrochloride
CID 119595950
N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 2537450

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide?
The IUPAC name of 2-methoxy-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide (CID 47091483) is 2-methoxy-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide is COc1ccccc1S(=O)(=O)NCCC(=O)N1CCCC(C)C1.
What is the InChIKey of 2-methoxy-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide?
The InChIKey is STMSCYSVXDBIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-13-6-5-11-18(12-13)16(19)9-10-17-23(20,21)15-8-4-3-7-14(15)22-2/h3-4,7-8,13,17H,5-6,9-12H2,1-2H3.
What are the key properties of 2-methoxy-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide?
2-methoxy-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide has a molecular weight of 340.44 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide is sourced from PubChem (CID 47091483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).