N-(1-methoxyethyl)-N-methylsulfamoyl chloride

C4H10ClNO3S — CID 21113541

IUPACN-(1-methoxyethyl)-N-methylsulfamoyl chloride
SMILESCOC(C)N(C)S(=O)(=O)Cl
InChIInChI=1S/C4H10ClNO3S/c1-4(9-3)6(2)10(5,7)8/h4H,1-3H3
InChIKeyFXBZSWPKUBYQOM-UHFFFAOYSA-N
MW187.65 g/mol
LogP0.39
Rot. Bonds3

About N-(1-methoxyethyl)-N-methylsulfamoyl chloride

N-(1-methoxyethyl)-N-methylsulfamoyl chloride (PubChem CID 21113541) has the molecular formula C4H10ClNO3S and a molecular weight of 187.65 g/mol. Its IUPAC name is N-(1-methoxyethyl)-N-methylsulfamoyl chloride.

Molecular Properties

Compound NameN-(1-methoxyethyl)-N-methylsulfamoyl chloride
PubChem CID21113541
Molecular FormulaC4H10ClNO3S
Molecular Weight187.65 g/mol
Exact Mass187.01
IUPAC NameN-(1-methoxyethyl)-N-methylsulfamoyl chloride
SMILESCOC(C)N(C)S(=O)(=O)Cl
InChIInChI=1S/C4H10ClNO3S/c1-4(9-3)6(2)10(5,7)8/h4H,1-3H3
InChIKeyFXBZSWPKUBYQOM-UHFFFAOYSA-N
XLogP0.39
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.65
LogP ≤ 50.39
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-(1-methoxyethyl)-N-methylsulfamoyl chloride?
The IUPAC name of N-(1-methoxyethyl)-N-methylsulfamoyl chloride (CID 21113541) is N-(1-methoxyethyl)-N-methylsulfamoyl chloride.
What is the SMILES notation for N-(1-methoxyethyl)-N-methylsulfamoyl chloride?
The canonical SMILES for N-(1-methoxyethyl)-N-methylsulfamoyl chloride is COC(C)N(C)S(=O)(=O)Cl.
What is the InChIKey of N-(1-methoxyethyl)-N-methylsulfamoyl chloride?
The InChIKey is FXBZSWPKUBYQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10ClNO3S/c1-4(9-3)6(2)10(5,7)8/h4H,1-3H3.
What are the key properties of N-(1-methoxyethyl)-N-methylsulfamoyl chloride?
N-(1-methoxyethyl)-N-methylsulfamoyl chloride has a molecular weight of 187.65 g/mol, XLogP of 0.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxyethyl)-N-methylsulfamoyl chloride is sourced from PubChem (CID 21113541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).