propan-2-yl N-(2-methylpropanoyl)sulfamate

C7H15NO4S — CID 59848462

IUPACpropan-2-yl N-(2-methylpropanoyl)sulfamate
SMILESCC(C)OS(=O)(=O)NC(=O)C(C)C
InChIInChI=1S/C7H15NO4S/c1-5(2)7(9)8-13(10,11)12-6(3)4/h5-6H,1-4H3,(H,8,9)
InChIKeyCXHHNCYEQFUIDH-UHFFFAOYSA-N
MW209.27 g/mol
LogP0.43
Rot. Bonds4

About propan-2-yl N-(2-methylpropanoyl)sulfamate

propan-2-yl N-(2-methylpropanoyl)sulfamate (PubChem CID 59848462) has the molecular formula C7H15NO4S and a molecular weight of 209.27 g/mol. Its IUPAC name is propan-2-yl N-(2-methylpropanoyl)sulfamate.

Molecular Properties

Compound Namepropan-2-yl N-(2-methylpropanoyl)sulfamate
PubChem CID59848462
Molecular FormulaC7H15NO4S
Molecular Weight209.27 g/mol
Exact Mass209.07
IUPAC Namepropan-2-yl N-(2-methylpropanoyl)sulfamate
SMILESCC(C)OS(=O)(=O)NC(=O)C(C)C
InChIInChI=1S/C7H15NO4S/c1-5(2)7(9)8-13(10,11)12-6(3)4/h5-6H,1-4H3,(H,8,9)
InChIKeyCXHHNCYEQFUIDH-UHFFFAOYSA-N
XLogP0.43
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(2-methylpropanoyl)sulfamate?
The IUPAC name of propan-2-yl N-(2-methylpropanoyl)sulfamate (CID 59848462) is propan-2-yl N-(2-methylpropanoyl)sulfamate.
What is the SMILES notation for propan-2-yl N-(2-methylpropanoyl)sulfamate?
The canonical SMILES for propan-2-yl N-(2-methylpropanoyl)sulfamate is CC(C)OS(=O)(=O)NC(=O)C(C)C.
What is the InChIKey of propan-2-yl N-(2-methylpropanoyl)sulfamate?
The InChIKey is CXHHNCYEQFUIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4S/c1-5(2)7(9)8-13(10,11)12-6(3)4/h5-6H,1-4H3,(H,8,9).
What are the key properties of propan-2-yl N-(2-methylpropanoyl)sulfamate?
propan-2-yl N-(2-methylpropanoyl)sulfamate has a molecular weight of 209.27 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(2-methylpropanoyl)sulfamate is sourced from PubChem (CID 59848462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).