1-[methoxy(methyl)amino]ethanesulfonamide

C4H12N2O3S — CID 143287827

IUPAC1-[methoxy(methyl)amino]ethanesulfonamide
SMILESCON(C)C(C)S(N)(=O)=O
InChIInChI=1S/C4H12N2O3S/c1-4(6(2)9-3)10(5,7)8/h4H,1-3H3,(H2,5,7,8)
InChIKeyFYSBNSUBQKKECC-UHFFFAOYSA-N
MW168.22 g/mol
LogP-0.89
Rot. Bonds3

About 1-[methoxy(methyl)amino]ethanesulfonamide

1-[methoxy(methyl)amino]ethanesulfonamide (PubChem CID 143287827) has the molecular formula C4H12N2O3S and a molecular weight of 168.22 g/mol. Its IUPAC name is 1-[methoxy(methyl)amino]ethanesulfonamide.

Molecular Properties

Compound Name1-[methoxy(methyl)amino]ethanesulfonamide
PubChem CID143287827
Molecular FormulaC4H12N2O3S
Molecular Weight168.22 g/mol
Exact Mass168.06
IUPAC Name1-[methoxy(methyl)amino]ethanesulfonamide
SMILESCON(C)C(C)S(N)(=O)=O
InChIInChI=1S/C4H12N2O3S/c1-4(6(2)9-3)10(5,7)8/h4H,1-3H3,(H2,5,7,8)
InChIKeyFYSBNSUBQKKECC-UHFFFAOYSA-N
XLogP-0.89
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(methoxyamino)-N,N-dimethylethanesulfonamide
CID 21691664
2-[Methoxy(methyl)amino]ethanesulfonamide
CID 90865184
3-[Methoxy(methyl)amino]propane-1-sulfonamide
CID 137516557
1-(methoxyamino)-N-methylethanesulfonamide
CID 155353522

Frequently Asked Questions

What is the IUPAC name of 1-[methoxy(methyl)amino]ethanesulfonamide?
The IUPAC name of 1-[methoxy(methyl)amino]ethanesulfonamide (CID 143287827) is 1-[methoxy(methyl)amino]ethanesulfonamide.
What is the SMILES notation for 1-[methoxy(methyl)amino]ethanesulfonamide?
The canonical SMILES for 1-[methoxy(methyl)amino]ethanesulfonamide is CON(C)C(C)S(N)(=O)=O.
What is the InChIKey of 1-[methoxy(methyl)amino]ethanesulfonamide?
The InChIKey is FYSBNSUBQKKECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O3S/c1-4(6(2)9-3)10(5,7)8/h4H,1-3H3,(H2,5,7,8).
What are the key properties of 1-[methoxy(methyl)amino]ethanesulfonamide?
1-[methoxy(methyl)amino]ethanesulfonamide has a molecular weight of 168.22 g/mol, XLogP of -0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methoxy(methyl)amino]ethanesulfonamide is sourced from PubChem (CID 143287827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).