N-ethyl-N-methoxymethanesulfonamide

C4H11NO3S — CID 59939968

IUPACN-ethyl-N-methoxymethanesulfonamide
SMILESCCN(OC)S(C)(=O)=O
InChIInChI=1S/C4H11NO3S/c1-4-5(8-2)9(3,6)7/h4H2,1-3H3
InChIKeyUKZKBOLYUCILAY-UHFFFAOYSA-N
MW153.20 g/mol
LogP-0.17
Rot. Bonds3

About N-ethyl-N-methoxymethanesulfonamide

N-ethyl-N-methoxymethanesulfonamide (PubChem CID 59939968) has the molecular formula C4H11NO3S and a molecular weight of 153.20 g/mol. Its IUPAC name is N-ethyl-N-methoxymethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-methoxymethanesulfonamide
PubChem CID59939968
Molecular FormulaC4H11NO3S
Molecular Weight153.20 g/mol
Exact Mass153.05
IUPAC NameN-ethyl-N-methoxymethanesulfonamide
SMILESCCN(OC)S(C)(=O)=O
InChIInChI=1S/C4H11NO3S/c1-4-5(8-2)9(3,6)7/h4H2,1-3H3
InChIKeyUKZKBOLYUCILAY-UHFFFAOYSA-N
XLogP-0.17
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.20
LogP ≤ 5-0.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 N-ethyl-N-methoxymethanesulfonamide?
The IUPAC name of N-ethyl-N-methoxymethanesulfonamide (CID 59939968) is N-ethyl-N-methoxymethanesulfonamide.
What is the SMILES notation for N-ethyl-N-methoxymethanesulfonamide?
The canonical SMILES for N-ethyl-N-methoxymethanesulfonamide is CCN(OC)S(C)(=O)=O.
What is the InChIKey of N-ethyl-N-methoxymethanesulfonamide?
The InChIKey is UKZKBOLYUCILAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO3S/c1-4-5(8-2)9(3,6)7/h4H2,1-3H3.
What are the key properties of N-ethyl-N-methoxymethanesulfonamide?
N-ethyl-N-methoxymethanesulfonamide has a molecular weight of 153.20 g/mol, XLogP of -0.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methoxymethanesulfonamide is sourced from PubChem (CID 59939968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).