1-amino-2-methyl-3-(2-methylsulfonylethyl)guanidine

C5H14N4O2S — CID 104881916

IUPAC1-amino-2-methyl-3-(2-methylsulfonylethyl)guanidine
SMILESC/N=C(\NN)NCCS(C)(=O)=O
InChIInChI=1S/C5H14N4O2S/c1-7-5(9-6)8-3-4-12(2,10)11/h3-4,6H2,1-2H3,(H2,7,8,9)
InChIKeyQVOWKBFPXIXRDY-UHFFFAOYSA-N
MW194.26 g/mol
LogP-1.93
Rot. Bonds3

About 1-amino-2-methyl-3-(2-methylsulfonylethyl)guanidine

1-amino-2-methyl-3-(2-methylsulfonylethyl)guanidine (PubChem CID 104881916) has the molecular formula C5H14N4O2S and a molecular weight of 194.26 g/mol. Its IUPAC name is 1-amino-2-methyl-3-(2-methylsulfonylethyl)guanidine.

Molecular Properties

Compound Name1-amino-2-methyl-3-(2-methylsulfonylethyl)guanidine
PubChem CID104881916
Molecular FormulaC5H14N4O2S
Molecular Weight194.26 g/mol
Exact Mass194.08
IUPAC Name1-amino-2-methyl-3-(2-methylsulfonylethyl)guanidine
SMILESC/N=C(\NN)NCCS(C)(=O)=O
InChIInChI=1S/C5H14N4O2S/c1-7-5(9-6)8-3-4-12(2,10)11/h3-4,6H2,1-2H3,(H2,7,8,9)
InChIKeyQVOWKBFPXIXRDY-UHFFFAOYSA-N
XLogP-1.93
TPSA96.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 5-1.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methyl-3-(2-methylsulfonylethyl)guanidine?
The IUPAC name of 1-amino-2-methyl-3-(2-methylsulfonylethyl)guanidine (CID 104881916) is 1-amino-2-methyl-3-(2-methylsulfonylethyl)guanidine.
What is the SMILES notation for 1-amino-2-methyl-3-(2-methylsulfonylethyl)guanidine?
The canonical SMILES for 1-amino-2-methyl-3-(2-methylsulfonylethyl)guanidine is C/N=C(\NN)NCCS(C)(=O)=O.
What is the InChIKey of 1-amino-2-methyl-3-(2-methylsulfonylethyl)guanidine?
The InChIKey is QVOWKBFPXIXRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N4O2S/c1-7-5(9-6)8-3-4-12(2,10)11/h3-4,6H2,1-2H3,(H2,7,8,9).
What are the key properties of 1-amino-2-methyl-3-(2-methylsulfonylethyl)guanidine?
1-amino-2-methyl-3-(2-methylsulfonylethyl)guanidine has a molecular weight of 194.26 g/mol, XLogP of -1.93, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methyl-3-(2-methylsulfonylethyl)guanidine is sourced from PubChem (CID 104881916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).