ethyl N-[2-chloroethyl(2-methoxyethyl)sulfamoyl]carbamate

C8H17ClN2O5S — CID 114466863

IUPACethyl N-[2-chloroethyl(2-methoxyethyl)sulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)N(CCCl)CCOC
InChIInChI=1S/C8H17ClN2O5S/c1-3-16-8(12)10-17(13,14)11(5-4-9)6-7-15-2/h3-7H2,1-2H3,(H,10,12)
InChIKeyJLLFFJFMEHHGAX-UHFFFAOYSA-N
MW288.75 g/mol
LogP0.16
Rot. Bonds8

About ethyl N-[2-chloroethyl(2-methoxyethyl)sulfamoyl]carbamate

ethyl N-[2-chloroethyl(2-methoxyethyl)sulfamoyl]carbamate (PubChem CID 114466863) has the molecular formula C8H17ClN2O5S and a molecular weight of 288.75 g/mol. Its IUPAC name is ethyl N-[2-chloroethyl(2-methoxyethyl)sulfamoyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-chloroethyl(2-methoxyethyl)sulfamoyl]carbamate
PubChem CID114466863
Molecular FormulaC8H17ClN2O5S
Molecular Weight288.75 g/mol
Exact Mass288.05
IUPAC Nameethyl N-[2-chloroethyl(2-methoxyethyl)sulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)N(CCCl)CCOC
InChIInChI=1S/C8H17ClN2O5S/c1-3-16-8(12)10-17(13,14)11(5-4-9)6-7-15-2/h3-7H2,1-2H3,(H,10,12)
InChIKeyJLLFFJFMEHHGAX-UHFFFAOYSA-N
XLogP0.16
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.75
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-chloroethyl(2-methoxyethyl)sulfamoyl]carbamate?
The IUPAC name of ethyl N-[2-chloroethyl(2-methoxyethyl)sulfamoyl]carbamate (CID 114466863) is ethyl N-[2-chloroethyl(2-methoxyethyl)sulfamoyl]carbamate.
What is the SMILES notation for ethyl N-[2-chloroethyl(2-methoxyethyl)sulfamoyl]carbamate?
The canonical SMILES for ethyl N-[2-chloroethyl(2-methoxyethyl)sulfamoyl]carbamate is CCOC(=O)NS(=O)(=O)N(CCCl)CCOC.
What is the InChIKey of ethyl N-[2-chloroethyl(2-methoxyethyl)sulfamoyl]carbamate?
The InChIKey is JLLFFJFMEHHGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17ClN2O5S/c1-3-16-8(12)10-17(13,14)11(5-4-9)6-7-15-2/h3-7H2,1-2H3,(H,10,12).
What are the key properties of ethyl N-[2-chloroethyl(2-methoxyethyl)sulfamoyl]carbamate?
ethyl N-[2-chloroethyl(2-methoxyethyl)sulfamoyl]carbamate has a molecular weight of 288.75 g/mol, XLogP of 0.16, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-chloroethyl(2-methoxyethyl)sulfamoyl]carbamate is sourced from PubChem (CID 114466863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).