propyl N-(2-methylpropanoyl)sulfamate

C7H15NO4S — CID 174385988

IUPACpropyl N-(2-methylpropanoyl)sulfamate
SMILESCCCOS(=O)(=O)NC(=O)C(C)C
InChIInChI=1S/C7H15NO4S/c1-4-5-12-13(10,11)8-7(9)6(2)3/h6H,4-5H2,1-3H3,(H,8,9)
InChIKeyHWHMREJZAGZLRX-UHFFFAOYSA-N
MW209.27 g/mol
LogP0.43
Rot. Bonds5

About propyl N-(2-methylpropanoyl)sulfamate

propyl N-(2-methylpropanoyl)sulfamate (PubChem CID 174385988) has the molecular formula C7H15NO4S and a molecular weight of 209.27 g/mol. Its IUPAC name is propyl N-(2-methylpropanoyl)sulfamate.

Molecular Properties

Compound Namepropyl N-(2-methylpropanoyl)sulfamate
PubChem CID174385988
Molecular FormulaC7H15NO4S
Molecular Weight209.27 g/mol
Exact Mass209.07
IUPAC Namepropyl N-(2-methylpropanoyl)sulfamate
SMILESCCCOS(=O)(=O)NC(=O)C(C)C
InChIInChI=1S/C7H15NO4S/c1-4-5-12-13(10,11)8-7(9)6(2)3/h6H,4-5H2,1-3H3,(H,8,9)
InChIKeyHWHMREJZAGZLRX-UHFFFAOYSA-N
XLogP0.43
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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 propyl N-(2-methylpropanoyl)sulfamate?
The IUPAC name of propyl N-(2-methylpropanoyl)sulfamate (CID 174385988) is propyl N-(2-methylpropanoyl)sulfamate.
What is the SMILES notation for propyl N-(2-methylpropanoyl)sulfamate?
The canonical SMILES for propyl N-(2-methylpropanoyl)sulfamate is CCCOS(=O)(=O)NC(=O)C(C)C.
What is the InChIKey of propyl N-(2-methylpropanoyl)sulfamate?
The InChIKey is HWHMREJZAGZLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4S/c1-4-5-12-13(10,11)8-7(9)6(2)3/h6H,4-5H2,1-3H3,(H,8,9).
What are the key properties of propyl N-(2-methylpropanoyl)sulfamate?
propyl N-(2-methylpropanoyl)sulfamate has a molecular weight of 209.27 g/mol, XLogP of 0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-(2-methylpropanoyl)sulfamate is sourced from PubChem (CID 174385988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).