1,2-bis(methylsulfonyl)guanidine;hydrobromide

C3H10BrN3O4S2 — CID 175499938

IUPAC1,2-bis(methylsulfonyl)guanidine;hydrobromide
SMILESBr.CS(=O)(=O)N=C(N)NS(C)(=O)=O
InChIInChI=1S/C3H9N3O4S2.BrH/c1-11(7,8)5-3(4)6-12(2,9)10;/h1-2H3,(H3,4,5,6);1H
InChIKeyCXKGTNGOBWFYHH-UHFFFAOYSA-N
MW296.17 g/mol
LogP-1.61
Rot. Bonds2

About 1,2-bis(methylsulfonyl)guanidine;hydrobromide

1,2-bis(methylsulfonyl)guanidine;hydrobromide (PubChem CID 175499938) has the molecular formula C3H10BrN3O4S2 and a molecular weight of 296.17 g/mol. Its IUPAC name is 1,2-bis(methylsulfonyl)guanidine;hydrobromide.

Molecular Properties

Compound Name1,2-bis(methylsulfonyl)guanidine;hydrobromide
PubChem CID175499938
Molecular FormulaC3H10BrN3O4S2
Molecular Weight296.17 g/mol
Exact Mass294.93
IUPAC Name1,2-bis(methylsulfonyl)guanidine;hydrobromide
SMILESBr.CS(=O)(=O)N=C(N)NS(C)(=O)=O
InChIInChI=1S/C3H9N3O4S2.BrH/c1-11(7,8)5-3(4)6-12(2,9)10;/h1-2H3,(H3,4,5,6);1H
InChIKeyCXKGTNGOBWFYHH-UHFFFAOYSA-N
XLogP-1.61
TPSA118.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 5-1.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1,2-bis(methylsulfonyl)guanidine;hydrobromide 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 1,2-bis(methylsulfonyl)guanidine;hydrobromide?
The IUPAC name of 1,2-bis(methylsulfonyl)guanidine;hydrobromide (CID 175499938) is 1,2-bis(methylsulfonyl)guanidine;hydrobromide.
What is the SMILES notation for 1,2-bis(methylsulfonyl)guanidine;hydrobromide?
The canonical SMILES for 1,2-bis(methylsulfonyl)guanidine;hydrobromide is Br.CS(=O)(=O)N=C(N)NS(C)(=O)=O.
What is the InChIKey of 1,2-bis(methylsulfonyl)guanidine;hydrobromide?
The InChIKey is CXKGTNGOBWFYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N3O4S2.BrH/c1-11(7,8)5-3(4)6-12(2,9)10;/h1-2H3,(H3,4,5,6);1H.
What are the key properties of 1,2-bis(methylsulfonyl)guanidine;hydrobromide?
1,2-bis(methylsulfonyl)guanidine;hydrobromide has a molecular weight of 296.17 g/mol, XLogP of -1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(methylsulfonyl)guanidine;hydrobromide is sourced from PubChem (CID 175499938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).