2-(ethylamino)-N-[2-(methoxymethyl)phenyl]ethanesulfonamide

C12H20N2O3S — CID 54972159

IUPAC2-(ethylamino)-N-[2-(methoxymethyl)phenyl]ethanesulfonamide
SMILESCCNCCS(=O)(=O)Nc1ccccc1COC
InChIInChI=1S/C12H20N2O3S/c1-3-13-8-9-18(15,16)14-12-7-5-4-6-11(12)10-17-2/h4-7,13-14H,3,8-10H2,1-2H3
InChIKeyKIZDVWLVFMTIGI-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.18
Rot. Bonds8

About 2-(ethylamino)-N-[2-(methoxymethyl)phenyl]ethanesulfonamide

2-(ethylamino)-N-[2-(methoxymethyl)phenyl]ethanesulfonamide (PubChem CID 54972159) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-(ethylamino)-N-[2-(methoxymethyl)phenyl]ethanesulfonamide.

Molecular Properties

Compound Name2-(ethylamino)-N-[2-(methoxymethyl)phenyl]ethanesulfonamide
PubChem CID54972159
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name2-(ethylamino)-N-[2-(methoxymethyl)phenyl]ethanesulfonamide
SMILESCCNCCS(=O)(=O)Nc1ccccc1COC
InChIInChI=1S/C12H20N2O3S/c1-3-13-8-9-18(15,16)14-12-7-5-4-6-11(12)10-17-2/h4-7,13-14H,3,8-10H2,1-2H3
InChIKeyKIZDVWLVFMTIGI-UHFFFAOYSA-N
XLogP1.18
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(ethylamino)-N-(2-propylphenyl)ethanesulfonamide
CID 54972905
N-[2-(methoxymethyl)phenyl]-4-(propylamino)butane-1-sulfonamide
CID 106003226
N-[2-(methoxymethyl)phenyl]-3-(methylamino)propane-1-sulfonamide
CID 106003223
1-chloro-N-[2-(methoxymethyl)phenyl]methanesulfonamide
CID 63664132
4-(cyclopropylamino)-N-[2-(methoxymethyl)phenyl]butane-1-sulfonamide
CID 106003237
3-(propylamino)-N-(2-propylphenyl)propane-1-sulfonamide
CID 106003440
2-ethoxy-N-[2-(ethylaminomethyl)phenyl]ethanesulfonamide
CID 63246620
N-[2-(ethylaminomethyl)phenyl]-2-propan-2-yloxyethanesulfonamide
CID 79594398
2-(ethylamino)-N-[2-(2-methoxyphenyl)ethyl]ethanesulfonamide
CID 106261839
N-[[2-(methoxymethyl)phenyl]methyl]-2-methylsulfonylethanamine
CID 54861557
2-bromo-N-[2-(methoxymethyl)phenyl]benzenesulfonamide
CID 47310105
2-(methoxymethyl)-N-(2-propan-2-ylsulfonylethyl)aniline
CID 106723452

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-[2-(methoxymethyl)phenyl]ethanesulfonamide?
The IUPAC name of 2-(ethylamino)-N-[2-(methoxymethyl)phenyl]ethanesulfonamide (CID 54972159) is 2-(ethylamino)-N-[2-(methoxymethyl)phenyl]ethanesulfonamide.
What is the SMILES notation for 2-(ethylamino)-N-[2-(methoxymethyl)phenyl]ethanesulfonamide?
The canonical SMILES for 2-(ethylamino)-N-[2-(methoxymethyl)phenyl]ethanesulfonamide is CCNCCS(=O)(=O)Nc1ccccc1COC.
What is the InChIKey of 2-(ethylamino)-N-[2-(methoxymethyl)phenyl]ethanesulfonamide?
The InChIKey is KIZDVWLVFMTIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-3-13-8-9-18(15,16)14-12-7-5-4-6-11(12)10-17-2/h4-7,13-14H,3,8-10H2,1-2H3.
What are the key properties of 2-(ethylamino)-N-[2-(methoxymethyl)phenyl]ethanesulfonamide?
2-(ethylamino)-N-[2-(methoxymethyl)phenyl]ethanesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 1.18, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-[2-(methoxymethyl)phenyl]ethanesulfonamide is sourced from PubChem (CID 54972159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).