2-methoxy-N-[2-methyl-3-(methylamino)propyl]ethanesulfonamide

C8H20N2O3S — CID 115302783

IUPAC2-methoxy-N-[2-methyl-3-(methylamino)propyl]ethanesulfonamide
SMILESCNCC(C)CNS(=O)(=O)CCOC
InChIInChI=1S/C8H20N2O3S/c1-8(6-9-2)7-10-14(11,12)5-4-13-3/h8-10H,4-7H2,1-3H3
InChIKeyWQVIUFYLPXWIHP-UHFFFAOYSA-N
MW224.33 g/mol
LogP-0.59
Rot. Bonds8

About 2-methoxy-N-[2-methyl-3-(methylamino)propyl]ethanesulfonamide

2-methoxy-N-[2-methyl-3-(methylamino)propyl]ethanesulfonamide (PubChem CID 115302783) has the molecular formula C8H20N2O3S and a molecular weight of 224.33 g/mol. Its IUPAC name is 2-methoxy-N-[2-methyl-3-(methylamino)propyl]ethanesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-[2-methyl-3-(methylamino)propyl]ethanesulfonamide
PubChem CID115302783
Molecular FormulaC8H20N2O3S
Molecular Weight224.33 g/mol
Exact Mass224.12
IUPAC Name2-methoxy-N-[2-methyl-3-(methylamino)propyl]ethanesulfonamide
SMILESCNCC(C)CNS(=O)(=O)CCOC
InChIInChI=1S/C8H20N2O3S/c1-8(6-9-2)7-10-14(11,12)5-4-13-3/h8-10H,4-7H2,1-3H3
InChIKeyWQVIUFYLPXWIHP-UHFFFAOYSA-N
XLogP-0.59
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-[2-methyl-3-(methylamino)propyl]propane-1-sulfonamide
CID 115302785
N-(3-amino-2-methylpropyl)-2-methoxyethanesulfonamide
CID 62666694
2-methoxy-N-(2-methoxypropyl)ethanesulfonamide
CID 102697513
5-(2-methoxyethylsulfonylamino)-4-methylpentanoic acid
CID 82684266
N-(3-methoxy-2-methylpropyl)-4-(methylamino)butane-1-sulfonamide
CID 106050688
N-(3-bromo-2-methylpropyl)-3-methoxypropane-1-sulfonamide
CID 114298100
N'-hydroxy-3-(2-methoxyethylsulfonylamino)-2-methylpropanimidamide
CID 76953299
methyl 2-chloro-3-(2-methoxyethylsulfonylamino)propanoate
CID 103493525
3-methoxy-N-[2-(methylamino)propyl]propane-1-sulfonamide;hydrochloride
CID 120825249
2-methoxy-3-(2-methoxyethylsulfonylamino)propanoic acid
CID 104936769
N-[2-(2-hydroxypropylamino)ethyl]-2-methoxyethanesulfonamide
CID 104594111
N-(5-chloro-4-methylpentyl)-2-methoxyethanesulfonamide
CID 106158927

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-methyl-3-(methylamino)propyl]ethanesulfonamide?
The IUPAC name of 2-methoxy-N-[2-methyl-3-(methylamino)propyl]ethanesulfonamide (CID 115302783) is 2-methoxy-N-[2-methyl-3-(methylamino)propyl]ethanesulfonamide.
What is the SMILES notation for 2-methoxy-N-[2-methyl-3-(methylamino)propyl]ethanesulfonamide?
The canonical SMILES for 2-methoxy-N-[2-methyl-3-(methylamino)propyl]ethanesulfonamide is CNCC(C)CNS(=O)(=O)CCOC.
What is the InChIKey of 2-methoxy-N-[2-methyl-3-(methylamino)propyl]ethanesulfonamide?
The InChIKey is WQVIUFYLPXWIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O3S/c1-8(6-9-2)7-10-14(11,12)5-4-13-3/h8-10H,4-7H2,1-3H3.
What are the key properties of 2-methoxy-N-[2-methyl-3-(methylamino)propyl]ethanesulfonamide?
2-methoxy-N-[2-methyl-3-(methylamino)propyl]ethanesulfonamide has a molecular weight of 224.33 g/mol, XLogP of -0.59, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-methyl-3-(methylamino)propyl]ethanesulfonamide is sourced from PubChem (CID 115302783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).