methylamino sulfamate

CH6N2O3S — CID 88589643

IUPACmethylamino sulfamate
SMILESCNOS(N)(=O)=O
InChIInChI=1S/CH6N2O3S/c1-3-6-7(2,4)5/h3H,1H3,(H2,2,4,5)
InChIKeyTXPAJJITDSEBCE-UHFFFAOYSA-N
MW126.14 g/mol
LogP-1.66
Rot. Bonds2

About methylamino sulfamate

methylamino sulfamate (PubChem CID 88589643) has the molecular formula CH6N2O3S and a molecular weight of 126.14 g/mol. Its IUPAC name is methylamino sulfamate.

Molecular Properties

Compound Namemethylamino sulfamate
PubChem CID88589643
Molecular FormulaCH6N2O3S
Molecular Weight126.14 g/mol
Exact Mass126.01
IUPAC Namemethylamino sulfamate
SMILESCNOS(N)(=O)=O
InChIInChI=1S/CH6N2O3S/c1-3-6-7(2,4)5/h3H,1H3,(H2,2,4,5)
InChIKeyTXPAJJITDSEBCE-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 methylamino sulfamate?
The IUPAC name of methylamino sulfamate (CID 88589643) is methylamino sulfamate.
What is the SMILES notation for methylamino sulfamate?
The canonical SMILES for methylamino sulfamate is CNOS(N)(=O)=O.
What is the InChIKey of methylamino sulfamate?
The InChIKey is TXPAJJITDSEBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/CH6N2O3S/c1-3-6-7(2,4)5/h3H,1H3,(H2,2,4,5).
What are the key properties of methylamino sulfamate?
methylamino sulfamate 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 methylamino sulfamate is sourced from PubChem (CID 88589643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).