methyl N-acetylsulfamate

C3H7NO4S — CID 58608080

IUPACmethyl N-acetylsulfamate
SMILESCOS(=O)(=O)NC(C)=O
InChIInChI=1S/C3H7NO4S/c1-3(5)4-9(6,7)8-2/h1-2H3,(H,4,5)
InChIKeyALJZDNQETWHNPY-UHFFFAOYSA-N
MW153.16 g/mol
LogP-0.99
Rot. Bonds2

About methyl N-acetylsulfamate

methyl N-acetylsulfamate (PubChem CID 58608080) has the molecular formula C3H7NO4S and a molecular weight of 153.16 g/mol. Its IUPAC name is methyl N-acetylsulfamate.

Molecular Properties

Compound Namemethyl N-acetylsulfamate
PubChem CID58608080
Molecular FormulaC3H7NO4S
Molecular Weight153.16 g/mol
Exact Mass153.01
IUPAC Namemethyl N-acetylsulfamate
SMILESCOS(=O)(=O)NC(C)=O
InChIInChI=1S/C3H7NO4S/c1-3(5)4-9(6,7)8-2/h1-2H3,(H,4,5)
InChIKeyALJZDNQETWHNPY-UHFFFAOYSA-N
XLogP-0.99
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.16
LogP ≤ 5-0.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-acetylsulfamate?
The IUPAC name of methyl N-acetylsulfamate (CID 58608080) is methyl N-acetylsulfamate.
What is the SMILES notation for methyl N-acetylsulfamate?
The canonical SMILES for methyl N-acetylsulfamate is COS(=O)(=O)NC(C)=O.
What is the InChIKey of methyl N-acetylsulfamate?
The InChIKey is ALJZDNQETWHNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO4S/c1-3(5)4-9(6,7)8-2/h1-2H3,(H,4,5).
What are the key properties of methyl N-acetylsulfamate?
methyl N-acetylsulfamate has a molecular weight of 153.16 g/mol, XLogP of -0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-acetylsulfamate is sourced from PubChem (CID 58608080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).