azane;methyl sulfamate

CH8N2O3S — CID 87696500

IUPACazane;methyl sulfamate
SMILESCOS(N)(=O)=O.N
InChIInChI=1S/CH5NO3S.H3N/c1-5-6(2,3)4;/h1H3,(H2,2,3,4);1H3
InChIKeyCFNCYBWIZAAWHH-UHFFFAOYSA-N
MW128.15 g/mol
LogP-1.00
Rot. Bonds1

About azane;methyl sulfamate

azane;methyl sulfamate (PubChem CID 87696500) has the molecular formula CH8N2O3S and a molecular weight of 128.15 g/mol. Its IUPAC name is azane;methyl sulfamate.

Molecular Properties

Compound Nameazane;methyl sulfamate
PubChem CID87696500
Molecular FormulaCH8N2O3S
Molecular Weight128.15 g/mol
Exact Mass128.03
IUPAC Nameazane;methyl sulfamate
SMILESCOS(N)(=O)=O.N
InChIInChI=1S/CH5NO3S.H3N/c1-5-6(2,3)4;/h1H3,(H2,2,3,4);1H3
InChIKeyCFNCYBWIZAAWHH-UHFFFAOYSA-N
XLogP-1.00
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.15
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of azane;methyl sulfamate?
The IUPAC name of azane;methyl sulfamate (CID 87696500) is azane;methyl sulfamate.
What is the SMILES notation for azane;methyl sulfamate?
The canonical SMILES for azane;methyl sulfamate is COS(N)(=O)=O.N.
What is the InChIKey of azane;methyl sulfamate?
The InChIKey is CFNCYBWIZAAWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/CH5NO3S.H3N/c1-5-6(2,3)4;/h1H3,(H2,2,3,4);1H3.
What are the key properties of azane;methyl sulfamate?
azane;methyl sulfamate has a molecular weight of 128.15 g/mol, XLogP of -1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;methyl sulfamate is sourced from PubChem (CID 87696500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).