methyl N-(2-methylpropanoyl)sulfamate

C5H11NO4S — CID 89191925

IUPACmethyl N-(2-methylpropanoyl)sulfamate
SMILESCOS(=O)(=O)NC(=O)C(C)C
InChIInChI=1S/C5H11NO4S/c1-4(2)5(7)6-11(8,9)10-3/h4H,1-3H3,(H,6,7)
InChIKeyMGPOGHQIOYDLMT-UHFFFAOYSA-N
MW181.21 g/mol
LogP-0.35
Rot. Bonds3

About methyl N-(2-methylpropanoyl)sulfamate

methyl N-(2-methylpropanoyl)sulfamate (PubChem CID 89191925) has the molecular formula C5H11NO4S and a molecular weight of 181.21 g/mol. Its IUPAC name is methyl N-(2-methylpropanoyl)sulfamate.

Molecular Properties

Compound Namemethyl N-(2-methylpropanoyl)sulfamate
PubChem CID89191925
Molecular FormulaC5H11NO4S
Molecular Weight181.21 g/mol
Exact Mass181.04
IUPAC Namemethyl N-(2-methylpropanoyl)sulfamate
SMILESCOS(=O)(=O)NC(=O)C(C)C
InChIInChI=1S/C5H11NO4S/c1-4(2)5(7)6-11(8,9)10-3/h4H,1-3H3,(H,6,7)
InChIKeyMGPOGHQIOYDLMT-UHFFFAOYSA-N
XLogP-0.35
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-(2-methylpropanoyl)sulfamate?
The IUPAC name of methyl N-(2-methylpropanoyl)sulfamate (CID 89191925) is methyl N-(2-methylpropanoyl)sulfamate.
What is the SMILES notation for methyl N-(2-methylpropanoyl)sulfamate?
The canonical SMILES for methyl N-(2-methylpropanoyl)sulfamate is COS(=O)(=O)NC(=O)C(C)C.
What is the InChIKey of methyl N-(2-methylpropanoyl)sulfamate?
The InChIKey is MGPOGHQIOYDLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO4S/c1-4(2)5(7)6-11(8,9)10-3/h4H,1-3H3,(H,6,7).
What are the key properties of methyl N-(2-methylpropanoyl)sulfamate?
methyl N-(2-methylpropanoyl)sulfamate has a molecular weight of 181.21 g/mol, XLogP of -0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-methylpropanoyl)sulfamate is sourced from PubChem (CID 89191925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).