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

C8H17ClN2O5S — CID 106185630

IUPACpropan-2-yl N-[(1-chloro-3-methoxypropan-2-yl)sulfamoyl]carbamate
SMILESCOCC(CCl)NS(=O)(=O)NC(=O)OC(C)C
InChIInChI=1S/C8H17ClN2O5S/c1-6(2)16-8(12)11-17(13,14)10-7(4-9)5-15-3/h6-7,10H,4-5H2,1-3H3,(H,11,12)
InChIKeyFICWKXUNEGFUHA-UHFFFAOYSA-N
MW288.75 g/mol
LogP0.21
Rot. Bonds7

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

propan-2-yl N-[(1-chloro-3-methoxypropan-2-yl)sulfamoyl]carbamate (PubChem CID 106185630) has the molecular formula C8H17ClN2O5S and a molecular weight of 288.75 g/mol. Its IUPAC name is propan-2-yl N-[(1-chloro-3-methoxypropan-2-yl)sulfamoyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[(1-chloro-3-methoxypropan-2-yl)sulfamoyl]carbamate
PubChem CID106185630
Molecular FormulaC8H17ClN2O5S
Molecular Weight288.75 g/mol
Exact Mass288.05
IUPAC Namepropan-2-yl N-[(1-chloro-3-methoxypropan-2-yl)sulfamoyl]carbamate
SMILESCOCC(CCl)NS(=O)(=O)NC(=O)OC(C)C
InChIInChI=1S/C8H17ClN2O5S/c1-6(2)16-8(12)11-17(13,14)10-7(4-9)5-15-3/h6-7,10H,4-5H2,1-3H3,(H,11,12)
InChIKeyFICWKXUNEGFUHA-UHFFFAOYSA-N
XLogP0.21
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.75
LogP ≤ 50.21
H-Bond Donors ≤ 52
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 propan-2-yl N-[(1-chloro-3-methoxypropan-2-yl)sulfamoyl]carbamate?
The IUPAC name of propan-2-yl N-[(1-chloro-3-methoxypropan-2-yl)sulfamoyl]carbamate (CID 106185630) is propan-2-yl N-[(1-chloro-3-methoxypropan-2-yl)sulfamoyl]carbamate.
What is the SMILES notation for propan-2-yl N-[(1-chloro-3-methoxypropan-2-yl)sulfamoyl]carbamate?
The canonical SMILES for propan-2-yl N-[(1-chloro-3-methoxypropan-2-yl)sulfamoyl]carbamate is COCC(CCl)NS(=O)(=O)NC(=O)OC(C)C.
What is the InChIKey of propan-2-yl N-[(1-chloro-3-methoxypropan-2-yl)sulfamoyl]carbamate?
The InChIKey is FICWKXUNEGFUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17ClN2O5S/c1-6(2)16-8(12)11-17(13,14)10-7(4-9)5-15-3/h6-7,10H,4-5H2,1-3H3,(H,11,12).
What are the key properties of propan-2-yl N-[(1-chloro-3-methoxypropan-2-yl)sulfamoyl]carbamate?
propan-2-yl N-[(1-chloro-3-methoxypropan-2-yl)sulfamoyl]carbamate has a molecular weight of 288.75 g/mol, XLogP of 0.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[(1-chloro-3-methoxypropan-2-yl)sulfamoyl]carbamate is sourced from PubChem (CID 106185630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).