N-propan-2-yliminomethanesulfonimidic acid

C4H10N2O2S — CID 91026777

IUPACN-propan-2-yliminomethanesulfonimidic acid
SMILESC=S(=O)(O)/N=N/C(C)C
InChIInChI=1S/C4H10N2O2S/c1-4(2)5-6-9(3,7)8/h4H,3H2,1-2H3,(H,7,8)/b6-5+
InChIKeyDENUQAKBCFAAOZ-AATRIKPKSA-N
MW150.20 g/mol
LogP0.95
Rot. Bonds2

About N-propan-2-yliminomethanesulfonimidic acid

N-propan-2-yliminomethanesulfonimidic acid (PubChem CID 91026777) has the molecular formula C4H10N2O2S and a molecular weight of 150.20 g/mol. Its IUPAC name is N-propan-2-yliminomethanesulfonimidic acid.

Molecular Properties

Compound NameN-propan-2-yliminomethanesulfonimidic acid
PubChem CID91026777
Molecular FormulaC4H10N2O2S
Molecular Weight150.20 g/mol
Exact Mass150.05
IUPAC NameN-propan-2-yliminomethanesulfonimidic acid
SMILESC=S(=O)(O)/N=N/C(C)C
InChIInChI=1S/C4H10N2O2S/c1-4(2)5-6-9(3,7)8/h4H,3H2,1-2H3,(H,7,8)/b6-5+
InChIKeyDENUQAKBCFAAOZ-AATRIKPKSA-N
XLogP0.95
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N-propan-2-yliminomethanesulfonimidic 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 N-propan-2-yliminomethanesulfonimidic acid?
The IUPAC name of N-propan-2-yliminomethanesulfonimidic acid (CID 91026777) is N-propan-2-yliminomethanesulfonimidic acid.
What is the SMILES notation for N-propan-2-yliminomethanesulfonimidic acid?
The canonical SMILES for N-propan-2-yliminomethanesulfonimidic acid is C=S(=O)(O)/N=N/C(C)C.
What is the InChIKey of N-propan-2-yliminomethanesulfonimidic acid?
The InChIKey is DENUQAKBCFAAOZ-AATRIKPKSA-N. The full InChI is InChI=1S/C4H10N2O2S/c1-4(2)5-6-9(3,7)8/h4H,3H2,1-2H3,(H,7,8)/b6-5+.
What are the key properties of N-propan-2-yliminomethanesulfonimidic acid?
N-propan-2-yliminomethanesulfonimidic acid has a molecular weight of 150.20 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yliminomethanesulfonimidic acid is sourced from PubChem (CID 91026777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).