N-ethyl-N-(methoxymethyl)sulfamoyl chloride

C4H10ClNO3S — CID 54119947

IUPACN-ethyl-N-(methoxymethyl)sulfamoyl chloride
SMILESCCN(COC)S(=O)(=O)Cl
InChIInChI=1S/C4H10ClNO3S/c1-3-6(4-9-2)10(5,7)8/h3-4H2,1-2H3
InChIKeyNMYMVEXUSZNWPM-UHFFFAOYSA-N
MW187.65 g/mol
LogP0.40
Rot. Bonds4

About N-ethyl-N-(methoxymethyl)sulfamoyl chloride

N-ethyl-N-(methoxymethyl)sulfamoyl chloride (PubChem CID 54119947) has the molecular formula C4H10ClNO3S and a molecular weight of 187.65 g/mol. Its IUPAC name is N-ethyl-N-(methoxymethyl)sulfamoyl chloride.

Molecular Properties

Compound NameN-ethyl-N-(methoxymethyl)sulfamoyl chloride
PubChem CID54119947
Molecular FormulaC4H10ClNO3S
Molecular Weight187.65 g/mol
Exact Mass187.01
IUPAC NameN-ethyl-N-(methoxymethyl)sulfamoyl chloride
SMILESCCN(COC)S(=O)(=O)Cl
InChIInChI=1S/C4H10ClNO3S/c1-3-6(4-9-2)10(5,7)8/h3-4H2,1-2H3
InChIKeyNMYMVEXUSZNWPM-UHFFFAOYSA-N
XLogP0.40
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.65
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(methoxymethyl)sulfamoyl chloride?
The IUPAC name of N-ethyl-N-(methoxymethyl)sulfamoyl chloride (CID 54119947) is N-ethyl-N-(methoxymethyl)sulfamoyl chloride.
What is the SMILES notation for N-ethyl-N-(methoxymethyl)sulfamoyl chloride?
The canonical SMILES for N-ethyl-N-(methoxymethyl)sulfamoyl chloride is CCN(COC)S(=O)(=O)Cl.
What is the InChIKey of N-ethyl-N-(methoxymethyl)sulfamoyl chloride?
The InChIKey is NMYMVEXUSZNWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10ClNO3S/c1-3-6(4-9-2)10(5,7)8/h3-4H2,1-2H3.
What are the key properties of N-ethyl-N-(methoxymethyl)sulfamoyl chloride?
N-ethyl-N-(methoxymethyl)sulfamoyl chloride has a molecular weight of 187.65 g/mol, XLogP of 0.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(methoxymethyl)sulfamoyl chloride is sourced from PubChem (CID 54119947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).