1-(methoxyamino)-N-methylethanesulfonamide

C4H12N2O3S — CID 155353522

IUPAC1-(methoxyamino)-N-methylethanesulfonamide
SMILESCNS(=O)(=O)C(C)NOC
InChIInChI=1S/C4H12N2O3S/c1-4(6-9-3)10(7,8)5-2/h4-6H,1-3H3
InChIKeyLBVLWOXWGQGXIM-UHFFFAOYSA-N
MW168.22 g/mol
LogP-0.97
Rot. Bonds4

About 1-(methoxyamino)-N-methylethanesulfonamide

1-(methoxyamino)-N-methylethanesulfonamide (PubChem CID 155353522) has the molecular formula C4H12N2O3S and a molecular weight of 168.22 g/mol. Its IUPAC name is 1-(methoxyamino)-N-methylethanesulfonamide.

Molecular Properties

Compound Name1-(methoxyamino)-N-methylethanesulfonamide
PubChem CID155353522
Molecular FormulaC4H12N2O3S
Molecular Weight168.22 g/mol
Exact Mass168.06
IUPAC Name1-(methoxyamino)-N-methylethanesulfonamide
SMILESCNS(=O)(=O)C(C)NOC
InChIInChI=1S/C4H12N2O3S/c1-4(6-9-3)10(7,8)5-2/h4-6H,1-3H3
InChIKeyLBVLWOXWGQGXIM-UHFFFAOYSA-N
XLogP-0.97
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(methoxyamino)-N-methylethanesulfonamide?
The IUPAC name of 1-(methoxyamino)-N-methylethanesulfonamide (CID 155353522) is 1-(methoxyamino)-N-methylethanesulfonamide.
What is the SMILES notation for 1-(methoxyamino)-N-methylethanesulfonamide?
The canonical SMILES for 1-(methoxyamino)-N-methylethanesulfonamide is CNS(=O)(=O)C(C)NOC.
What is the InChIKey of 1-(methoxyamino)-N-methylethanesulfonamide?
The InChIKey is LBVLWOXWGQGXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O3S/c1-4(6-9-3)10(7,8)5-2/h4-6H,1-3H3.
What are the key properties of 1-(methoxyamino)-N-methylethanesulfonamide?
1-(methoxyamino)-N-methylethanesulfonamide has a molecular weight of 168.22 g/mol, XLogP of -0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxyamino)-N-methylethanesulfonamide is sourced from PubChem (CID 155353522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).