amino N-methylsulfamate

CH6N2O3S — CID 142796162

IUPACamino N-methylsulfamate
SMILESCNS(=O)(=O)ON
InChIInChI=1S/CH6N2O3S/c1-3-7(4,5)6-2/h3H,2H2,1H3
InChIKeyZQQGMKWAVCOCJG-UHFFFAOYSA-N
MW126.14 g/mol
LogP-1.66
Rot. Bonds2

About amino N-methylsulfamate

amino N-methylsulfamate (PubChem CID 142796162) has the molecular formula CH6N2O3S and a molecular weight of 126.14 g/mol. Its IUPAC name is amino N-methylsulfamate.

Molecular Properties

Compound Nameamino N-methylsulfamate
PubChem CID142796162
Molecular FormulaCH6N2O3S
Molecular Weight126.14 g/mol
Exact Mass126.01
IUPAC Nameamino N-methylsulfamate
SMILESCNS(=O)(=O)ON
InChIInChI=1S/CH6N2O3S/c1-3-7(4,5)6-2/h3H,2H2,1H3
InChIKeyZQQGMKWAVCOCJG-UHFFFAOYSA-N
XLogP-1.66
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.14
LogP ≤ 5-1.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of amino N-methylsulfamate?
The IUPAC name of amino N-methylsulfamate (CID 142796162) is amino N-methylsulfamate.
What is the SMILES notation for amino N-methylsulfamate?
The canonical SMILES for amino N-methylsulfamate is CNS(=O)(=O)ON.
What is the InChIKey of amino N-methylsulfamate?
The InChIKey is ZQQGMKWAVCOCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/CH6N2O3S/c1-3-7(4,5)6-2/h3H,2H2,1H3.
What are the key properties of amino N-methylsulfamate?
amino N-methylsulfamate has a molecular weight of 126.14 g/mol, XLogP of -1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino N-methylsulfamate is sourced from PubChem (CID 142796162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).