1-ethyl-1,2-dimethyl-3-methylsulfonylguanidine

C6H15N3O2S — CID 142132124

IUPAC1-ethyl-1,2-dimethyl-3-methylsulfonylguanidine
SMILESCCN(C)/C(=N\C)NS(C)(=O)=O
InChIInChI=1S/C6H15N3O2S/c1-5-9(3)6(7-2)8-12(4,10)11/h5H2,1-4H3,(H,7,8)
InChIKeyJNRSZBXWIUVSOK-UHFFFAOYSA-N
MW193.27 g/mol
LogP-0.53
Rot. Bonds2

About 1-ethyl-1,2-dimethyl-3-methylsulfonylguanidine

1-ethyl-1,2-dimethyl-3-methylsulfonylguanidine (PubChem CID 142132124) has the molecular formula C6H15N3O2S and a molecular weight of 193.27 g/mol. Its IUPAC name is 1-ethyl-1,2-dimethyl-3-methylsulfonylguanidine.

Molecular Properties

Compound Name1-ethyl-1,2-dimethyl-3-methylsulfonylguanidine
PubChem CID142132124
Molecular FormulaC6H15N3O2S
Molecular Weight193.27 g/mol
Exact Mass193.09
IUPAC Name1-ethyl-1,2-dimethyl-3-methylsulfonylguanidine
SMILESCCN(C)/C(=N\C)NS(C)(=O)=O
InChIInChI=1S/C6H15N3O2S/c1-5-9(3)6(7-2)8-12(4,10)11/h5H2,1-4H3,(H,7,8)
InChIKeyJNRSZBXWIUVSOK-UHFFFAOYSA-N
XLogP-0.53
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-ethyl-1,2-dimethyl-3-methylsulfonylguanidine?
The IUPAC name of 1-ethyl-1,2-dimethyl-3-methylsulfonylguanidine (CID 142132124) is 1-ethyl-1,2-dimethyl-3-methylsulfonylguanidine.
What is the SMILES notation for 1-ethyl-1,2-dimethyl-3-methylsulfonylguanidine?
The canonical SMILES for 1-ethyl-1,2-dimethyl-3-methylsulfonylguanidine is CCN(C)/C(=N\C)NS(C)(=O)=O.
What is the InChIKey of 1-ethyl-1,2-dimethyl-3-methylsulfonylguanidine?
The InChIKey is JNRSZBXWIUVSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O2S/c1-5-9(3)6(7-2)8-12(4,10)11/h5H2,1-4H3,(H,7,8).
What are the key properties of 1-ethyl-1,2-dimethyl-3-methylsulfonylguanidine?
1-ethyl-1,2-dimethyl-3-methylsulfonylguanidine has a molecular weight of 193.27 g/mol, XLogP of -0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1,2-dimethyl-3-methylsulfonylguanidine is sourced from PubChem (CID 142132124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).