ethyl(methyl)sulfamic acid

C3H9NO3S — CID 22636891

IUPACethyl(methyl)sulfamic acid
SMILESCCN(C)S(=O)(=O)O
InChIInChI=1S/C3H9NO3S/c1-3-4(2)8(5,6)7/h3H2,1-2H3,(H,5,6,7)
InChIKeyIOISAJSHULNACL-UHFFFAOYSA-N
MW139.18 g/mol
LogP-0.26
Rot. Bonds2

About ethyl(methyl)sulfamic acid

ethyl(methyl)sulfamic acid (PubChem CID 22636891) has the molecular formula C3H9NO3S and a molecular weight of 139.18 g/mol. Its IUPAC name is ethyl(methyl)sulfamic acid.

Molecular Properties

Compound Nameethyl(methyl)sulfamic acid
PubChem CID22636891
Molecular FormulaC3H9NO3S
Molecular Weight139.18 g/mol
Exact Mass139.03
IUPAC Nameethyl(methyl)sulfamic acid
SMILESCCN(C)S(=O)(=O)O
InChIInChI=1S/C3H9NO3S/c1-3-4(2)8(5,6)7/h3H2,1-2H3,(H,5,6,7)
InChIKeyIOISAJSHULNACL-UHFFFAOYSA-N
XLogP-0.26
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.18
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze ethyl(methyl)sulfamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl(methyl)sulfamic acid?
The IUPAC name of ethyl(methyl)sulfamic acid (CID 22636891) is ethyl(methyl)sulfamic acid.
What is the SMILES notation for ethyl(methyl)sulfamic acid?
The canonical SMILES for ethyl(methyl)sulfamic acid is CCN(C)S(=O)(=O)O.
What is the InChIKey of ethyl(methyl)sulfamic acid?
The InChIKey is IOISAJSHULNACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO3S/c1-3-4(2)8(5,6)7/h3H2,1-2H3,(H,5,6,7).
What are the key properties of ethyl(methyl)sulfamic acid?
ethyl(methyl)sulfamic acid has a molecular weight of 139.18 g/mol, XLogP of -0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl(methyl)sulfamic acid is sourced from PubChem (CID 22636891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).