methyl sulfamate

CH5NO3S — CID 12914626

IUPACmethyl sulfamate
SMILESCOS(N)(=O)=O
InChIInChI=1S/CH5NO3S/c1-5-6(2,3)4/h1H3,(H2,2,3,4)
InChIKeyFIYXUOWXHWJDAM-UHFFFAOYSA-N
MW111.12 g/mol
LogP-1.16
Rot. Bonds1

About methyl sulfamate

methyl sulfamate (PubChem CID 12914626) has the molecular formula CH5NO3S and a molecular weight of 111.12 g/mol. Its IUPAC name is methyl sulfamate.

Molecular Properties

Compound Namemethyl sulfamate
PubChem CID12914626
Molecular FormulaCH5NO3S
Molecular Weight111.12 g/mol
Exact Mass111.00
IUPAC Namemethyl sulfamate
SMILESCOS(N)(=O)=O
InChIInChI=1S/CH5NO3S/c1-5-6(2,3)4/h1H3,(H2,2,3,4)
InChIKeyFIYXUOWXHWJDAM-UHFFFAOYSA-N
XLogP-1.16
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.12
LogP ≤ 5-1.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl sulfamate?
The IUPAC name of methyl sulfamate (CID 12914626) is methyl sulfamate.
What is the SMILES notation for methyl sulfamate?
The canonical SMILES for methyl sulfamate is COS(N)(=O)=O.
What is the InChIKey of methyl sulfamate?
The InChIKey is FIYXUOWXHWJDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/CH5NO3S/c1-5-6(2,3)4/h1H3,(H2,2,3,4).
What are the key properties of methyl sulfamate?
methyl sulfamate has a molecular weight of 111.12 g/mol, XLogP of -1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl sulfamate is sourced from PubChem (CID 12914626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).