N-[2-[ethyl(methyl)amino]ethyl]-2-hydroxyethanesulfonamide

C7H18N2O3S — CID 79579543

IUPACN-[2-[ethyl(methyl)amino]ethyl]-2-hydroxyethanesulfonamide
SMILESCCN(C)CCNS(=O)(=O)CCO
InChIInChI=1S/C7H18N2O3S/c1-3-9(2)5-4-8-13(11,12)7-6-10/h8,10H,3-7H2,1-2H3
InChIKeyPVXICTJVGBCOIR-UHFFFAOYSA-N
MW210.30 g/mol
LogP-1.15
Rot. Bonds7

About N-[2-[ethyl(methyl)amino]ethyl]-2-hydroxyethanesulfonamide

N-[2-[ethyl(methyl)amino]ethyl]-2-hydroxyethanesulfonamide (PubChem CID 79579543) has the molecular formula C7H18N2O3S and a molecular weight of 210.30 g/mol. Its IUPAC name is N-[2-[ethyl(methyl)amino]ethyl]-2-hydroxyethanesulfonamide.

Molecular Properties

Compound NameN-[2-[ethyl(methyl)amino]ethyl]-2-hydroxyethanesulfonamide
PubChem CID79579543
Molecular FormulaC7H18N2O3S
Molecular Weight210.30 g/mol
Exact Mass210.10
IUPAC NameN-[2-[ethyl(methyl)amino]ethyl]-2-hydroxyethanesulfonamide
SMILESCCN(C)CCNS(=O)(=O)CCO
InChIInChI=1S/C7H18N2O3S/c1-3-9(2)5-4-8-13(11,12)7-6-10/h8,10H,3-7H2,1-2H3
InChIKeyPVXICTJVGBCOIR-UHFFFAOYSA-N
XLogP-1.15
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 5-1.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[ethyl(methyl)amino]ethylsulfamoyl]propanoic acid
CID 62641953
N-[2-[cyclopropyl(methyl)amino]ethyl]-2-hydroxyethanesulfonamide
CID 79578945
N-[2-[ethyl(methyl)amino]ethyl]-1-[4-(methylaminomethyl)phenyl]methanesulfonamide
CID 106055972
N-[2-(dimethylamino)ethyl]-N-[2-(propylsulfonylamino)ethyl]acetamide
CID 113053585
N-ethyl-2-[2-[ethyl(methyl)amino]ethylsulfonyl]-N-methylethanamine
CID 164964311
1-[2-(aminomethyl)phenyl]-N-[2-[ethyl(methyl)amino]ethyl]methanesulfonamide
CID 62641813
2-amino-N-(2-hydroxyethyl)ethanesulfonamide
CID 87239494
N-[2-[ethyl(methyl)amino]ethyl]-4-methoxybenzenesulfonamide
CID 11000205
N-ethyl-N-methylethanamine;methanesulfonic acid
CID 121235737
2-[ethyl(methyl)amino]ethanol;hydrate
CID 174397905
N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(methylamino)ethanesulfonamide
CID 62850818
1-(ethylamino)-N-[2-[ethyl(methyl)amino]ethyl]propane-2-sulfonamide
CID 106055954

Frequently Asked Questions

What is the IUPAC name of N-[2-[ethyl(methyl)amino]ethyl]-2-hydroxyethanesulfonamide?
The IUPAC name of N-[2-[ethyl(methyl)amino]ethyl]-2-hydroxyethanesulfonamide (CID 79579543) is N-[2-[ethyl(methyl)amino]ethyl]-2-hydroxyethanesulfonamide.
What is the SMILES notation for N-[2-[ethyl(methyl)amino]ethyl]-2-hydroxyethanesulfonamide?
The canonical SMILES for N-[2-[ethyl(methyl)amino]ethyl]-2-hydroxyethanesulfonamide is CCN(C)CCNS(=O)(=O)CCO.
What is the InChIKey of N-[2-[ethyl(methyl)amino]ethyl]-2-hydroxyethanesulfonamide?
The InChIKey is PVXICTJVGBCOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O3S/c1-3-9(2)5-4-8-13(11,12)7-6-10/h8,10H,3-7H2,1-2H3.
What are the key properties of N-[2-[ethyl(methyl)amino]ethyl]-2-hydroxyethanesulfonamide?
N-[2-[ethyl(methyl)amino]ethyl]-2-hydroxyethanesulfonamide has a molecular weight of 210.30 g/mol, XLogP of -1.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[ethyl(methyl)amino]ethyl]-2-hydroxyethanesulfonamide is sourced from PubChem (CID 79579543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).