N-ethyl-N-methyl-3-[1-(methylamino)ethyl]benzenesulfonamide

C12H20N2O2S — CID 43507037

IUPACN-ethyl-N-methyl-3-[1-(methylamino)ethyl]benzenesulfonamide
SMILESCCN(C)S(=O)(=O)c1cccc(C(C)NC)c1
InChIInChI=1S/C12H20N2O2S/c1-5-14(4)17(15,16)12-8-6-7-11(9-12)10(2)13-3/h6-10,13H,5H2,1-4H3
InChIKeyWVIVFGQHKUHBEF-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.61
Rot. Bonds5

About N-ethyl-N-methyl-3-[1-(methylamino)ethyl]benzenesulfonamide

N-ethyl-N-methyl-3-[1-(methylamino)ethyl]benzenesulfonamide (PubChem CID 43507037) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N-ethyl-N-methyl-3-[1-(methylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-3-[1-(methylamino)ethyl]benzenesulfonamide
PubChem CID43507037
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC NameN-ethyl-N-methyl-3-[1-(methylamino)ethyl]benzenesulfonamide
SMILESCCN(C)S(=O)(=O)c1cccc(C(C)NC)c1
InChIInChI=1S/C12H20N2O2S/c1-5-14(4)17(15,16)12-8-6-7-11(9-12)10(2)13-3/h6-10,13H,5H2,1-4H3
InChIKeyWVIVFGQHKUHBEF-UHFFFAOYSA-N
XLogP1.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-[1-(methylamino)ethyl]-N-propylbenzenesulfonamide
CID 43507081
N-methyl-1-(3-methylsulfonylphenyl)ethanamine
CID 112704192
(1R)-N-methyl-1-(3-methylsulfonylphenyl)ethanamine
CID 130699454
N-methyl-N-(2-methylpropyl)-3-[1-(propylamino)ethyl]benzenesulfonamide
CID 43507085
3-[1-(methylamino)ethyl]-N-pentan-3-ylbenzenesulfonamide
CID 43506746
N-methyl-3-[1-(methylamino)propyl]-N-propan-2-ylbenzenesulfonamide
CID 60872266
N,N-diethyl-3-(1-hydroxyethyl)benzenesulfonamide
CID 43507253
N-(2-ethoxyethyl)-N-methyl-3-[1-(methylamino)propyl]benzenesulfonamide
CID 81036858
N-(cyclobutylmethyl)-N-methyl-3-[1-(methylamino)propyl]benzenesulfonamide
CID 62862419
N-(cyclopropylmethyl)-3-[1-(methylamino)ethyl]benzenesulfonamide
CID 43506800
3-[1-(methylamino)ethyl]-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 83142320
N-(2-hydroxypropyl)-N-methyl-4-[1-(methylamino)ethyl]benzenesulfonamide
CID 62337347

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-3-[1-(methylamino)ethyl]benzenesulfonamide?
The IUPAC name of N-ethyl-N-methyl-3-[1-(methylamino)ethyl]benzenesulfonamide (CID 43507037) is N-ethyl-N-methyl-3-[1-(methylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for N-ethyl-N-methyl-3-[1-(methylamino)ethyl]benzenesulfonamide?
The canonical SMILES for N-ethyl-N-methyl-3-[1-(methylamino)ethyl]benzenesulfonamide is CCN(C)S(=O)(=O)c1cccc(C(C)NC)c1.
What is the InChIKey of N-ethyl-N-methyl-3-[1-(methylamino)ethyl]benzenesulfonamide?
The InChIKey is WVIVFGQHKUHBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-5-14(4)17(15,16)12-8-6-7-11(9-12)10(2)13-3/h6-10,13H,5H2,1-4H3.
What are the key properties of N-ethyl-N-methyl-3-[1-(methylamino)ethyl]benzenesulfonamide?
N-ethyl-N-methyl-3-[1-(methylamino)ethyl]benzenesulfonamide has a molecular weight of 256.37 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-3-[1-(methylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 43507037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).