N-(2,2-dimethoxyethyl)-N-methylsulfamoyl chloride

C5H12ClNO4S — CID 86231782

IUPACN-(2,2-dimethoxyethyl)-N-methylsulfamoyl chloride
SMILESCOC(CN(C)S(=O)(=O)Cl)OC
InChIInChI=1S/C5H12ClNO4S/c1-7(12(6,8)9)4-5(10-2)11-3/h5H,4H2,1-3H3
InChIKeyHBSFERNREMPFIS-UHFFFAOYSA-N
MW217.67 g/mol
LogP0.02
Rot. Bonds5

About N-(2,2-dimethoxyethyl)-N-methylsulfamoyl chloride

N-(2,2-dimethoxyethyl)-N-methylsulfamoyl chloride (PubChem CID 86231782) has the molecular formula C5H12ClNO4S and a molecular weight of 217.67 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-N-methylsulfamoyl chloride.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-N-methylsulfamoyl chloride
PubChem CID86231782
Molecular FormulaC5H12ClNO4S
Molecular Weight217.67 g/mol
Exact Mass217.02
IUPAC NameN-(2,2-dimethoxyethyl)-N-methylsulfamoyl chloride
SMILESCOC(CN(C)S(=O)(=O)Cl)OC
InChIInChI=1S/C5H12ClNO4S/c1-7(12(6,8)9)4-5(10-2)11-3/h5H,4H2,1-3H3
InChIKeyHBSFERNREMPFIS-UHFFFAOYSA-N
XLogP0.02
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.67
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(2,2-dimethoxyethyl)-N-methylsulfamoyl chloride?
The IUPAC name of N-(2,2-dimethoxyethyl)-N-methylsulfamoyl chloride (CID 86231782) is N-(2,2-dimethoxyethyl)-N-methylsulfamoyl chloride.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-N-methylsulfamoyl chloride?
The canonical SMILES for N-(2,2-dimethoxyethyl)-N-methylsulfamoyl chloride is COC(CN(C)S(=O)(=O)Cl)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-N-methylsulfamoyl chloride?
The InChIKey is HBSFERNREMPFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12ClNO4S/c1-7(12(6,8)9)4-5(10-2)11-3/h5H,4H2,1-3H3.
What are the key properties of N-(2,2-dimethoxyethyl)-N-methylsulfamoyl chloride?
N-(2,2-dimethoxyethyl)-N-methylsulfamoyl chloride has a molecular weight of 217.67 g/mol, XLogP of 0.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-N-methylsulfamoyl chloride is sourced from PubChem (CID 86231782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).