propan-2-yl N-[(2-chlorocyclopentyl)sulfamoyl]carbamate

C9H17ClN2O4S — CID 106444312

IUPACpropan-2-yl N-[(2-chlorocyclopentyl)sulfamoyl]carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)NC1CCCC1Cl
InChIInChI=1S/C9H17ClN2O4S/c1-6(2)16-9(13)12-17(14,15)11-8-5-3-4-7(8)10/h6-8,11H,3-5H2,1-2H3,(H,12,13)
InChIKeyQBSXORGBYGVRRK-UHFFFAOYSA-N
MW284.77 g/mol
LogP1.12
Rot. Bonds4

About propan-2-yl N-[(2-chlorocyclopentyl)sulfamoyl]carbamate

propan-2-yl N-[(2-chlorocyclopentyl)sulfamoyl]carbamate (PubChem CID 106444312) has the molecular formula C9H17ClN2O4S and a molecular weight of 284.77 g/mol. Its IUPAC name is propan-2-yl N-[(2-chlorocyclopentyl)sulfamoyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[(2-chlorocyclopentyl)sulfamoyl]carbamate
PubChem CID106444312
Molecular FormulaC9H17ClN2O4S
Molecular Weight284.77 g/mol
Exact Mass284.06
IUPAC Namepropan-2-yl N-[(2-chlorocyclopentyl)sulfamoyl]carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)NC1CCCC1Cl
InChIInChI=1S/C9H17ClN2O4S/c1-6(2)16-9(13)12-17(14,15)11-8-5-3-4-7(8)10/h6-8,11H,3-5H2,1-2H3,(H,12,13)
InChIKeyQBSXORGBYGVRRK-UHFFFAOYSA-N
XLogP1.12
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.77
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 propan-2-yl N-[(2-chlorocyclopentyl)sulfamoyl]carbamate?
The IUPAC name of propan-2-yl N-[(2-chlorocyclopentyl)sulfamoyl]carbamate (CID 106444312) is propan-2-yl N-[(2-chlorocyclopentyl)sulfamoyl]carbamate.
What is the SMILES notation for propan-2-yl N-[(2-chlorocyclopentyl)sulfamoyl]carbamate?
The canonical SMILES for propan-2-yl N-[(2-chlorocyclopentyl)sulfamoyl]carbamate is CC(C)OC(=O)NS(=O)(=O)NC1CCCC1Cl.
What is the InChIKey of propan-2-yl N-[(2-chlorocyclopentyl)sulfamoyl]carbamate?
The InChIKey is QBSXORGBYGVRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17ClN2O4S/c1-6(2)16-9(13)12-17(14,15)11-8-5-3-4-7(8)10/h6-8,11H,3-5H2,1-2H3,(H,12,13).
What are the key properties of propan-2-yl N-[(2-chlorocyclopentyl)sulfamoyl]carbamate?
propan-2-yl N-[(2-chlorocyclopentyl)sulfamoyl]carbamate has a molecular weight of 284.77 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[(2-chlorocyclopentyl)sulfamoyl]carbamate is sourced from PubChem (CID 106444312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).