ethyl N-[(1-chloro-3-methoxypropan-2-yl)sulfamoyl]carbamate

C7H15ClN2O5S — CID 106185627

IUPACethyl N-[(1-chloro-3-methoxypropan-2-yl)sulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)NC(CCl)COC
InChIInChI=1S/C7H15ClN2O5S/c1-3-15-7(11)10-16(12,13)9-6(4-8)5-14-2/h6,9H,3-5H2,1-2H3,(H,10,11)
InChIKeyIJNGCPPGWHFNOA-UHFFFAOYSA-N
MW274.73 g/mol
LogP-0.18
Rot. Bonds7

About ethyl N-[(1-chloro-3-methoxypropan-2-yl)sulfamoyl]carbamate

ethyl N-[(1-chloro-3-methoxypropan-2-yl)sulfamoyl]carbamate (PubChem CID 106185627) has the molecular formula C7H15ClN2O5S and a molecular weight of 274.73 g/mol. Its IUPAC name is ethyl N-[(1-chloro-3-methoxypropan-2-yl)sulfamoyl]carbamate.

Molecular Properties

Compound Nameethyl N-[(1-chloro-3-methoxypropan-2-yl)sulfamoyl]carbamate
PubChem CID106185627
Molecular FormulaC7H15ClN2O5S
Molecular Weight274.73 g/mol
Exact Mass274.04
IUPAC Nameethyl N-[(1-chloro-3-methoxypropan-2-yl)sulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)NC(CCl)COC
InChIInChI=1S/C7H15ClN2O5S/c1-3-15-7(11)10-16(12,13)9-6(4-8)5-14-2/h6,9H,3-5H2,1-2H3,(H,10,11)
InChIKeyIJNGCPPGWHFNOA-UHFFFAOYSA-N
XLogP-0.18
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.73
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl N-[(1-chloro-3-methoxypropan-2-yl)sulfamoyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(1-chloro-3-methoxypropan-2-yl)sulfamoyl]carbamate?
The IUPAC name of ethyl N-[(1-chloro-3-methoxypropan-2-yl)sulfamoyl]carbamate (CID 106185627) is ethyl N-[(1-chloro-3-methoxypropan-2-yl)sulfamoyl]carbamate.
What is the SMILES notation for ethyl N-[(1-chloro-3-methoxypropan-2-yl)sulfamoyl]carbamate?
The canonical SMILES for ethyl N-[(1-chloro-3-methoxypropan-2-yl)sulfamoyl]carbamate is CCOC(=O)NS(=O)(=O)NC(CCl)COC.
What is the InChIKey of ethyl N-[(1-chloro-3-methoxypropan-2-yl)sulfamoyl]carbamate?
The InChIKey is IJNGCPPGWHFNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15ClN2O5S/c1-3-15-7(11)10-16(12,13)9-6(4-8)5-14-2/h6,9H,3-5H2,1-2H3,(H,10,11).
What are the key properties of ethyl N-[(1-chloro-3-methoxypropan-2-yl)sulfamoyl]carbamate?
ethyl N-[(1-chloro-3-methoxypropan-2-yl)sulfamoyl]carbamate has a molecular weight of 274.73 g/mol, XLogP of -0.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(1-chloro-3-methoxypropan-2-yl)sulfamoyl]carbamate is sourced from PubChem (CID 106185627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).