2-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]ethanesulfonamide

C12H26N2O4S — CID 120896019

IUPAC2-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]ethanesulfonamide
SMILESCCOCCS(=O)(=O)NCC1(COC)CCNCC1
InChIInChI=1S/C12H26N2O4S/c1-3-18-8-9-19(15,16)14-10-12(11-17-2)4-6-13-7-5-12/h13-14H,3-11H2,1-2H3
InChIKeyXLHJYBPUJXMAPR-UHFFFAOYSA-N
MW294.42 g/mol
LogP-0.04
Rot. Bonds9

About 2-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]ethanesulfonamide

2-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]ethanesulfonamide (PubChem CID 120896019) has the molecular formula C12H26N2O4S and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]ethanesulfonamide.

Molecular Properties

Compound Name2-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]ethanesulfonamide
PubChem CID120896019
Molecular FormulaC12H26N2O4S
Molecular Weight294.42 g/mol
Exact Mass294.16
IUPAC Name2-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]ethanesulfonamide
SMILESCCOCCS(=O)(=O)NCC1(COC)CCNCC1
InChIInChI=1S/C12H26N2O4S/c1-3-18-8-9-19(15,16)14-10-12(11-17-2)4-6-13-7-5-12/h13-14H,3-11H2,1-2H3
InChIKeyXLHJYBPUJXMAPR-UHFFFAOYSA-N
XLogP-0.04
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]ethanesulfonamide 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

2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]ethanesulfonamide
CID 120896587
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]ethanesulfonamide;hydrochloride
CID 120896586
2-(ethylsulfonylamino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]ethanesulfonamide
CID 120896619
4-(2-ethoxyethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride
CID 120896478
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-thiophen-2-ylethanesulfonamide
CID 120877176
N-[[1-(chloromethyl)cyclohexyl]methyl]-2-ethoxyethanesulfonamide
CID 103970051
4-[[bis(2-methoxyethyl)sulfamoylamino]methyl]-4-(methoxymethyl)piperidine;hydrochloride
CID 120896370
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]azepane-1-sulfonamide
CID 120896907
1-(2-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]methanesulfonamide;hydrochloride
CID 120896382
2-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 120895991
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylsulfonylbenzenesulfonamide
CID 120896801
3,5-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 120896329

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]ethanesulfonamide?
The IUPAC name of 2-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]ethanesulfonamide (CID 120896019) is 2-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]ethanesulfonamide.
What is the SMILES notation for 2-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]ethanesulfonamide?
The canonical SMILES for 2-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]ethanesulfonamide is CCOCCS(=O)(=O)NCC1(COC)CCNCC1.
What is the InChIKey of 2-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]ethanesulfonamide?
The InChIKey is XLHJYBPUJXMAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O4S/c1-3-18-8-9-19(15,16)14-10-12(11-17-2)4-6-13-7-5-12/h13-14H,3-11H2,1-2H3.
What are the key properties of 2-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]ethanesulfonamide?
2-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]ethanesulfonamide has a molecular weight of 294.42 g/mol, XLogP of -0.04, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]ethanesulfonamide is sourced from PubChem (CID 120896019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).