4-[amino(sulfinato)amino]-1-methylimidazole

C4H7N4O2S- — CID 174587816

IUPAC4-[amino(sulfinato)amino]-1-methylimidazole
SMILESCn1cnc(N(N)S(=O)[O-])c1
InChIInChI=1S/C4H8N4O2S/c1-7-2-4(6-3-7)8(5)11(9)10/h2-3H,5H2,1H3,(H,9,10)/p-1
InChIKeyDSBOBQPNWPNCFW-UHFFFAOYSA-M
MW175.19 g/mol
LogP-1.11
Rot. Bonds2

About 4-[amino(sulfinato)amino]-1-methylimidazole

4-[amino(sulfinato)amino]-1-methylimidazole (PubChem CID 174587816) has the molecular formula C4H7N4O2S- and a molecular weight of 175.19 g/mol. Its IUPAC name is 4-[amino(sulfinato)amino]-1-methylimidazole.

Molecular Properties

Compound Name4-[amino(sulfinato)amino]-1-methylimidazole
PubChem CID174587816
Molecular FormulaC4H7N4O2S-
Molecular Weight175.19 g/mol
Exact Mass175.03
IUPAC Name4-[amino(sulfinato)amino]-1-methylimidazole
SMILESCn1cnc(N(N)S(=O)[O-])c1
InChIInChI=1S/C4H8N4O2S/c1-7-2-4(6-3-7)8(5)11(9)10/h2-3H,5H2,1H3,(H,9,10)/p-1
InChIKeyDSBOBQPNWPNCFW-UHFFFAOYSA-M
XLogP-1.11
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 5-1.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[amino(sulfinato)amino]-1-methylimidazole 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 4-[amino(sulfinato)amino]-1-methylimidazole?
The IUPAC name of 4-[amino(sulfinato)amino]-1-methylimidazole (CID 174587816) is 4-[amino(sulfinato)amino]-1-methylimidazole.
What is the SMILES notation for 4-[amino(sulfinato)amino]-1-methylimidazole?
The canonical SMILES for 4-[amino(sulfinato)amino]-1-methylimidazole is Cn1cnc(N(N)S(=O)[O-])c1.
What is the InChIKey of 4-[amino(sulfinato)amino]-1-methylimidazole?
The InChIKey is DSBOBQPNWPNCFW-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H8N4O2S/c1-7-2-4(6-3-7)8(5)11(9)10/h2-3H,5H2,1H3,(H,9,10)/p-1.
What are the key properties of 4-[amino(sulfinato)amino]-1-methylimidazole?
4-[amino(sulfinato)amino]-1-methylimidazole has a molecular weight of 175.19 g/mol, XLogP of -1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino(sulfinato)amino]-1-methylimidazole is sourced from PubChem (CID 174587816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).