2-ethoxy-5-methyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]benzenesulfonamide

C16H26N2O3S — CID 95187888

IUPAC2-ethoxy-5-methyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]benzenesulfonamide
SMILESCCOc1ccc(C)cc1S(=O)(=O)NC[C@@H]1CCCN(C)C1
InChIInChI=1S/C16H26N2O3S/c1-4-21-15-8-7-13(2)10-16(15)22(19,20)17-11-14-6-5-9-18(3)12-14/h7-8,10,14,17H,4-6,9,11-12H2,1-3H3/t14-/m0/s1
InChIKeyGSAXYUIQWWLGME-AWEZNQCLSA-N
MW326.46 g/mol
LogP2.01
Rot. Bonds6

About 2-ethoxy-5-methyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]benzenesulfonamide

2-ethoxy-5-methyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]benzenesulfonamide (PubChem CID 95187888) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is 2-ethoxy-5-methyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-ethoxy-5-methyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]benzenesulfonamide
PubChem CID95187888
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC Name2-ethoxy-5-methyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]benzenesulfonamide
SMILESCCOc1ccc(C)cc1S(=O)(=O)NC[C@@H]1CCCN(C)C1
InChIInChI=1S/C16H26N2O3S/c1-4-21-15-8-7-13(2)10-16(15)22(19,20)17-11-14-6-5-9-18(3)12-14/h7-8,10,14,17H,4-6,9,11-12H2,1-3H3/t14-/m0/s1
InChIKeyGSAXYUIQWWLGME-AWEZNQCLSA-N
XLogP2.01
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-ethoxy-5-methyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]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

N-(cyclohexylmethyl)-2-methoxy-5-methylbenzenesulfonamide
CID 142023630
5-methoxy-2,4-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]benzenesulfonamide
CID 56756292
2-ethoxy-5-methyl-N-propylbenzenesulfonamide
CID 54449996
2-ethoxy-5-methyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzenesulfonamide
CID 16890303
2-bromo-N-[(1-ethylpiperidin-3-yl)methyl]-4-methylbenzenesulfonamide
CID 47092430
2-methoxy-5-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 110640333
2-(methylamino)-N-[(1-methylpiperidin-3-yl)methyl]benzenesulfonamide
CID 62159127
6-(ethylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-3-sulfonamide
CID 62158948
2-ethoxy-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide
CID 90621923
2-methoxy-5-methyl-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16888118
2-ethoxy-5-methyl-N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]benzenesulfonamide
CID 51866671
3-(ethylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2-sulfonamide
CID 103305202

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-methyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]benzenesulfonamide?
The IUPAC name of 2-ethoxy-5-methyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]benzenesulfonamide (CID 95187888) is 2-ethoxy-5-methyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 2-ethoxy-5-methyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]benzenesulfonamide?
The canonical SMILES for 2-ethoxy-5-methyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]benzenesulfonamide is CCOc1ccc(C)cc1S(=O)(=O)NC[C@@H]1CCCN(C)C1.
What is the InChIKey of 2-ethoxy-5-methyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]benzenesulfonamide?
The InChIKey is GSAXYUIQWWLGME-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-4-21-15-8-7-13(2)10-16(15)22(19,20)17-11-14-6-5-9-18(3)12-14/h7-8,10,14,17H,4-6,9,11-12H2,1-3H3/t14-/m0/s1.
What are the key properties of 2-ethoxy-5-methyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]benzenesulfonamide?
2-ethoxy-5-methyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]benzenesulfonamide has a molecular weight of 326.46 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-methyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 95187888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).