propan-2-yl N-acetylsulfamate

C5H11NO4S — CID 89168341

IUPACpropan-2-yl N-acetylsulfamate
SMILESCC(=O)NS(=O)(=O)OC(C)C
InChIInChI=1S/C5H11NO4S/c1-4(2)10-11(8,9)6-5(3)7/h4H,1-3H3,(H,6,7)
InChIKeySRKBDOZXBSWXEW-UHFFFAOYSA-N
MW181.21 g/mol
LogP-0.21
Rot. Bonds3

About propan-2-yl N-acetylsulfamate

propan-2-yl N-acetylsulfamate (PubChem CID 89168341) has the molecular formula C5H11NO4S and a molecular weight of 181.21 g/mol. Its IUPAC name is propan-2-yl N-acetylsulfamate.

Molecular Properties

Compound Namepropan-2-yl N-acetylsulfamate
PubChem CID89168341
Molecular FormulaC5H11NO4S
Molecular Weight181.21 g/mol
Exact Mass181.04
IUPAC Namepropan-2-yl N-acetylsulfamate
SMILESCC(=O)NS(=O)(=O)OC(C)C
InChIInChI=1S/C5H11NO4S/c1-4(2)10-11(8,9)6-5(3)7/h4H,1-3H3,(H,6,7)
InChIKeySRKBDOZXBSWXEW-UHFFFAOYSA-N
XLogP-0.21
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 ≤ 5-0.21
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-acetylsulfamate?
The IUPAC name of propan-2-yl N-acetylsulfamate (CID 89168341) is propan-2-yl N-acetylsulfamate.
What is the SMILES notation for propan-2-yl N-acetylsulfamate?
The canonical SMILES for propan-2-yl N-acetylsulfamate is CC(=O)NS(=O)(=O)OC(C)C.
What is the InChIKey of propan-2-yl N-acetylsulfamate?
The InChIKey is SRKBDOZXBSWXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO4S/c1-4(2)10-11(8,9)6-5(3)7/h4H,1-3H3,(H,6,7).
What are the key properties of propan-2-yl N-acetylsulfamate?
propan-2-yl N-acetylsulfamate has a molecular weight of 181.21 g/mol, XLogP of -0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-acetylsulfamate is sourced from PubChem (CID 89168341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).