2-[methyl(methylsulfonyl)sulfamoyl]guanidine

C3H10N4O4S2 — CID 171042071

IUPAC2-[methyl(methylsulfonyl)sulfamoyl]guanidine
SMILESCN(S(C)(=O)=O)S(=O)(=O)N=C(N)N
InChIInChI=1S/C3H10N4O4S2/c1-7(12(2,8)9)13(10,11)6-3(4)5/h1-2H3,(H4,4,5,6)
InChIKeyJSVUVSSMEKRLBU-UHFFFAOYSA-N
MW230.27 g/mol
LogP-2.60
Rot. Bonds3

About 2-[methyl(methylsulfonyl)sulfamoyl]guanidine

2-[methyl(methylsulfonyl)sulfamoyl]guanidine (PubChem CID 171042071) has the molecular formula C3H10N4O4S2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-[methyl(methylsulfonyl)sulfamoyl]guanidine.

Molecular Properties

Compound Name2-[methyl(methylsulfonyl)sulfamoyl]guanidine
PubChem CID171042071
Molecular FormulaC3H10N4O4S2
Molecular Weight230.27 g/mol
Exact Mass230.01
IUPAC Name2-[methyl(methylsulfonyl)sulfamoyl]guanidine
SMILESCN(S(C)(=O)=O)S(=O)(=O)N=C(N)N
InChIInChI=1S/C3H10N4O4S2/c1-7(12(2,8)9)13(10,11)6-3(4)5/h1-2H3,(H4,4,5,6)
InChIKeyJSVUVSSMEKRLBU-UHFFFAOYSA-N
XLogP-2.60
TPSA135.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 5-2.60
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(methylsulfonyl)sulfamoyl]guanidine?
The IUPAC name of 2-[methyl(methylsulfonyl)sulfamoyl]guanidine (CID 171042071) is 2-[methyl(methylsulfonyl)sulfamoyl]guanidine.
What is the SMILES notation for 2-[methyl(methylsulfonyl)sulfamoyl]guanidine?
The canonical SMILES for 2-[methyl(methylsulfonyl)sulfamoyl]guanidine is CN(S(C)(=O)=O)S(=O)(=O)N=C(N)N.
What is the InChIKey of 2-[methyl(methylsulfonyl)sulfamoyl]guanidine?
The InChIKey is JSVUVSSMEKRLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N4O4S2/c1-7(12(2,8)9)13(10,11)6-3(4)5/h1-2H3,(H4,4,5,6).
What are the key properties of 2-[methyl(methylsulfonyl)sulfamoyl]guanidine?
2-[methyl(methylsulfonyl)sulfamoyl]guanidine has a molecular weight of 230.27 g/mol, XLogP of -2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(methylsulfonyl)sulfamoyl]guanidine is sourced from PubChem (CID 171042071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).