1-ethyl-2-[2-(methanesulfonamido)ethyl]guanidine

C6H16N4O2S — CID 62363297

IUPAC1-ethyl-2-[2-(methanesulfonamido)ethyl]guanidine
SMILESCCN/C(N)=N/CCNS(C)(=O)=O
InChIInChI=1S/C6H16N4O2S/c1-3-8-6(7)9-4-5-10-13(2,11)12/h10H,3-5H2,1-2H3,(H3,7,8,9)
InChIKeyKWRGTIUIBDWMAU-UHFFFAOYSA-N
MW208.29 g/mol
LogP-1.54
Rot. Bonds5

About 1-ethyl-2-[2-(methanesulfonamido)ethyl]guanidine

1-ethyl-2-[2-(methanesulfonamido)ethyl]guanidine (PubChem CID 62363297) has the molecular formula C6H16N4O2S and a molecular weight of 208.29 g/mol. Its IUPAC name is 1-ethyl-2-[2-(methanesulfonamido)ethyl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-[2-(methanesulfonamido)ethyl]guanidine
PubChem CID62363297
Molecular FormulaC6H16N4O2S
Molecular Weight208.29 g/mol
Exact Mass208.10
IUPAC Name1-ethyl-2-[2-(methanesulfonamido)ethyl]guanidine
SMILESCCN/C(N)=N/CCNS(C)(=O)=O
InChIInChI=1S/C6H16N4O2S/c1-3-8-6(7)9-4-5-10-13(2,11)12/h10H,3-5H2,1-2H3,(H3,7,8,9)
InChIKeyKWRGTIUIBDWMAU-UHFFFAOYSA-N
XLogP-1.54
TPSA96.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 5-1.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-2-[2-(methanesulfonamido)ethyl]guanidine?
The IUPAC name of 1-ethyl-2-[2-(methanesulfonamido)ethyl]guanidine (CID 62363297) is 1-ethyl-2-[2-(methanesulfonamido)ethyl]guanidine.
What is the SMILES notation for 1-ethyl-2-[2-(methanesulfonamido)ethyl]guanidine?
The canonical SMILES for 1-ethyl-2-[2-(methanesulfonamido)ethyl]guanidine is CCN/C(N)=N/CCNS(C)(=O)=O.
What is the InChIKey of 1-ethyl-2-[2-(methanesulfonamido)ethyl]guanidine?
The InChIKey is KWRGTIUIBDWMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N4O2S/c1-3-8-6(7)9-4-5-10-13(2,11)12/h10H,3-5H2,1-2H3,(H3,7,8,9).
What are the key properties of 1-ethyl-2-[2-(methanesulfonamido)ethyl]guanidine?
1-ethyl-2-[2-(methanesulfonamido)ethyl]guanidine has a molecular weight of 208.29 g/mol, XLogP of -1.54, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-(methanesulfonamido)ethyl]guanidine is sourced from PubChem (CID 62363297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).