1-ethyl-2-[3-[ethyl(methylsulfonyl)amino]propyl]guanidine

C9H22N4O2S — CID 62363760

IUPAC1-ethyl-2-[3-[ethyl(methylsulfonyl)amino]propyl]guanidine
SMILESCCN/C(N)=N/CCCN(CC)S(C)(=O)=O
InChIInChI=1S/C9H22N4O2S/c1-4-11-9(10)12-7-6-8-13(5-2)16(3,14)15/h4-8H2,1-3H3,(H3,10,11,12)
InChIKeyHVINGFCQZDUOJT-UHFFFAOYSA-N
MW250.37 g/mol
LogP-0.42
Rot. Bonds7

About 1-ethyl-2-[3-[ethyl(methylsulfonyl)amino]propyl]guanidine

1-ethyl-2-[3-[ethyl(methylsulfonyl)amino]propyl]guanidine (PubChem CID 62363760) has the molecular formula C9H22N4O2S and a molecular weight of 250.37 g/mol. Its IUPAC name is 1-ethyl-2-[3-[ethyl(methylsulfonyl)amino]propyl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-[3-[ethyl(methylsulfonyl)amino]propyl]guanidine
PubChem CID62363760
Molecular FormulaC9H22N4O2S
Molecular Weight250.37 g/mol
Exact Mass250.15
IUPAC Name1-ethyl-2-[3-[ethyl(methylsulfonyl)amino]propyl]guanidine
SMILESCCN/C(N)=N/CCCN(CC)S(C)(=O)=O
InChIInChI=1S/C9H22N4O2S/c1-4-11-9(10)12-7-6-8-13(5-2)16(3,14)15/h4-8H2,1-3H3,(H3,10,11,12)
InChIKeyHVINGFCQZDUOJT-UHFFFAOYSA-N
XLogP-0.42
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
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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Related Compounds

2-[3-[ethyl(methylsulfonyl)amino]propyl]-1-prop-2-enylguanidine
CID 136700148
1,3-diethyl-2-[3-[ethyl(methylsulfonyl)amino]propyl]guanidine
CID 110917856
1,3-diethyl-2-[3-[ethyl(methylsulfonyl)amino]propyl]guanidine;hydroiodide
CID 110917855
2-[3-[ethyl(methylsulfonyl)amino]propyl]-1-(2-methoxyethyl)guanidine;hydroiodide
CID 110917859
1-tert-butyl-3-ethyl-2-[3-[ethyl(methylsulfonyl)amino]propyl]guanidine
CID 110967286
N-ethyl-N'-[3-[ethyl(methylsulfonyl)amino]propyl]pyrrolidine-1-carboximidamide
CID 110956756
2-[3-[ethyl(methylsulfonyl)amino]propyl]-1-(1-methoxypropan-2-yl)guanidine
CID 111076283
1-(3,4-dimethylphenyl)-2-[3-[ethyl(methylsulfonyl)amino]propyl]guanidine
CID 111076217
N,N-diethyl-2-[[N-ethyl-N'-[3-[ethyl(methylsulfonyl)amino]propyl]carbamimidoyl]-methylamino]acetamide;hydroiodide
CID 111010470
4-[[amino(ethylamino)methylidene]amino]butanamide
CID 62363745
1-(4-ethoxybutyl)-3-ethyl-2-[3-[ethyl(methylsulfonyl)amino]propyl]guanidine;hydroiodide
CID 111946214
1-ethyl-2-(2-sulfamoylethyl)guanidine
CID 62364849

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[3-[ethyl(methylsulfonyl)amino]propyl]guanidine?
The IUPAC name of 1-ethyl-2-[3-[ethyl(methylsulfonyl)amino]propyl]guanidine (CID 62363760) is 1-ethyl-2-[3-[ethyl(methylsulfonyl)amino]propyl]guanidine.
What is the SMILES notation for 1-ethyl-2-[3-[ethyl(methylsulfonyl)amino]propyl]guanidine?
The canonical SMILES for 1-ethyl-2-[3-[ethyl(methylsulfonyl)amino]propyl]guanidine is CCN/C(N)=N/CCCN(CC)S(C)(=O)=O.
What is the InChIKey of 1-ethyl-2-[3-[ethyl(methylsulfonyl)amino]propyl]guanidine?
The InChIKey is HVINGFCQZDUOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N4O2S/c1-4-11-9(10)12-7-6-8-13(5-2)16(3,14)15/h4-8H2,1-3H3,(H3,10,11,12).
What are the key properties of 1-ethyl-2-[3-[ethyl(methylsulfonyl)amino]propyl]guanidine?
1-ethyl-2-[3-[ethyl(methylsulfonyl)amino]propyl]guanidine has a molecular weight of 250.37 g/mol, XLogP of -0.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[3-[ethyl(methylsulfonyl)amino]propyl]guanidine is sourced from PubChem (CID 62363760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).