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

C8H17ClN2O4S — CID 114466236

IUPACethyl N-[2-chloroethyl(propyl)sulfamoyl]carbamate
SMILESCCCN(CCCl)S(=O)(=O)NC(=O)OCC
InChIInChI=1S/C8H17ClN2O4S/c1-3-6-11(7-5-9)16(13,14)10-8(12)15-4-2/h3-7H2,1-2H3,(H,10,12)
InChIKeyLUAKNINKWLMAMJ-UHFFFAOYSA-N
MW272.75 g/mol
LogP0.93
Rot. Bonds7

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

ethyl N-[2-chloroethyl(propyl)sulfamoyl]carbamate (PubChem CID 114466236) has the molecular formula C8H17ClN2O4S and a molecular weight of 272.75 g/mol. Its IUPAC name is ethyl N-[2-chloroethyl(propyl)sulfamoyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-chloroethyl(propyl)sulfamoyl]carbamate
PubChem CID114466236
Molecular FormulaC8H17ClN2O4S
Molecular Weight272.75 g/mol
Exact Mass272.06
IUPAC Nameethyl N-[2-chloroethyl(propyl)sulfamoyl]carbamate
SMILESCCCN(CCCl)S(=O)(=O)NC(=O)OCC
InChIInChI=1S/C8H17ClN2O4S/c1-3-6-11(7-5-9)16(13,14)10-8(12)15-4-2/h3-7H2,1-2H3,(H,10,12)
InChIKeyLUAKNINKWLMAMJ-UHFFFAOYSA-N
XLogP0.93
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.75
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-[bis(2-chloroethyl)sulfamoyl]carbamate
CID 114464074
ethyl N-[2-chloroethyl(2-methoxyethyl)sulfamoyl]carbamate
CID 114466863
methyl N-[2-chloroethyl(ethyl)sulfamoyl]carbamate
CID 114466223
dipropylsulfamoylcarbamic acid
CID 141168649
ethyl N-[2-chloroethyl(cyclopentyl)sulfamoyl]carbamate
CID 114466202
ethyl N-[ethyl(3-hydroxypropyl)sulfamoyl]carbamate
CID 114464365
methyl N-[2-hydroxyethyl(propyl)sulfamoyl]carbamate
CID 114464146
3-[ethoxycarbonylsulfamoyl(methyl)amino]propanoic acid
CID 114462274
ethyl N-[3-(aminomethyl)pentan-3-yl-propylsulfamoyl]carbamate
CID 114461365
ethyl N-[(4-aminophenyl)-propylsulfamoyl]carbamate
CID 114461735
ethyl N-(2-chloroethylsulfamoyl)carbamate
CID 114464062
ethyl N-[3-aminopropyl(benzyl)sulfamoyl]carbamate
CID 107366642

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-chloroethyl(propyl)sulfamoyl]carbamate?
The IUPAC name of ethyl N-[2-chloroethyl(propyl)sulfamoyl]carbamate (CID 114466236) is ethyl N-[2-chloroethyl(propyl)sulfamoyl]carbamate.
What is the SMILES notation for ethyl N-[2-chloroethyl(propyl)sulfamoyl]carbamate?
The canonical SMILES for ethyl N-[2-chloroethyl(propyl)sulfamoyl]carbamate is CCCN(CCCl)S(=O)(=O)NC(=O)OCC.
What is the InChIKey of ethyl N-[2-chloroethyl(propyl)sulfamoyl]carbamate?
The InChIKey is LUAKNINKWLMAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17ClN2O4S/c1-3-6-11(7-5-9)16(13,14)10-8(12)15-4-2/h3-7H2,1-2H3,(H,10,12).
What are the key properties of ethyl N-[2-chloroethyl(propyl)sulfamoyl]carbamate?
ethyl N-[2-chloroethyl(propyl)sulfamoyl]carbamate has a molecular weight of 272.75 g/mol, XLogP of 0.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-chloroethyl(propyl)sulfamoyl]carbamate is sourced from PubChem (CID 114466236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).