propan-2-yl N-(1-chloropropan-2-ylsulfamoyl)carbamate

C7H15ClN2O4S — CID 114466353

IUPACpropan-2-yl N-(1-chloropropan-2-ylsulfamoyl)carbamate
SMILESCC(CCl)NS(=O)(=O)NC(=O)OC(C)C
InChIInChI=1S/C7H15ClN2O4S/c1-5(2)14-7(11)10-15(12,13)9-6(3)4-8/h5-6,9H,4H2,1-3H3,(H,10,11)
InChIKeyXRFDXKAAVXBONU-UHFFFAOYSA-N
MW258.73 g/mol
LogP0.58
Rot. Bonds5

About propan-2-yl N-(1-chloropropan-2-ylsulfamoyl)carbamate

propan-2-yl N-(1-chloropropan-2-ylsulfamoyl)carbamate (PubChem CID 114466353) has the molecular formula C7H15ClN2O4S and a molecular weight of 258.73 g/mol. Its IUPAC name is propan-2-yl N-(1-chloropropan-2-ylsulfamoyl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(1-chloropropan-2-ylsulfamoyl)carbamate
PubChem CID114466353
Molecular FormulaC7H15ClN2O4S
Molecular Weight258.73 g/mol
Exact Mass258.04
IUPAC Namepropan-2-yl N-(1-chloropropan-2-ylsulfamoyl)carbamate
SMILESCC(CCl)NS(=O)(=O)NC(=O)OC(C)C
InChIInChI=1S/C7H15ClN2O4S/c1-5(2)14-7(11)10-15(12,13)9-6(3)4-8/h5-6,9H,4H2,1-3H3,(H,10,11)
InChIKeyXRFDXKAAVXBONU-UHFFFAOYSA-N
XLogP0.58
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.73
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze propan-2-yl N-(1-chloropropan-2-ylsulfamoyl)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 propan-2-yl N-(1-chloropropan-2-ylsulfamoyl)carbamate?
The IUPAC name of propan-2-yl N-(1-chloropropan-2-ylsulfamoyl)carbamate (CID 114466353) is propan-2-yl N-(1-chloropropan-2-ylsulfamoyl)carbamate.
What is the SMILES notation for propan-2-yl N-(1-chloropropan-2-ylsulfamoyl)carbamate?
The canonical SMILES for propan-2-yl N-(1-chloropropan-2-ylsulfamoyl)carbamate is CC(CCl)NS(=O)(=O)NC(=O)OC(C)C.
What is the InChIKey of propan-2-yl N-(1-chloropropan-2-ylsulfamoyl)carbamate?
The InChIKey is XRFDXKAAVXBONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15ClN2O4S/c1-5(2)14-7(11)10-15(12,13)9-6(3)4-8/h5-6,9H,4H2,1-3H3,(H,10,11).
What are the key properties of propan-2-yl N-(1-chloropropan-2-ylsulfamoyl)carbamate?
propan-2-yl N-(1-chloropropan-2-ylsulfamoyl)carbamate has a molecular weight of 258.73 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(1-chloropropan-2-ylsulfamoyl)carbamate is sourced from PubChem (CID 114466353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).