1-ethyl-2-[3-(ethylsulfonylamino)propyl]-3-propan-2-ylguanidine

C11H26N4O2S — CID 111127023

IUPAC1-ethyl-2-[3-(ethylsulfonylamino)propyl]-3-propan-2-ylguanidine
SMILESCCN/C(=N\CCCNS(=O)(=O)CC)NC(C)C
InChIInChI=1S/C11H26N4O2S/c1-5-12-11(15-10(3)4)13-8-7-9-14-18(16,17)6-2/h10,14H,5-9H2,1-4H3,(H2,12,13,15)
InChIKeyQIYLXYCKKQPBLD-UHFFFAOYSA-N
MW278.42 g/mol
LogP0.28
Rot. Bonds8

About 1-ethyl-2-[3-(ethylsulfonylamino)propyl]-3-propan-2-ylguanidine

1-ethyl-2-[3-(ethylsulfonylamino)propyl]-3-propan-2-ylguanidine (PubChem CID 111127023) has the molecular formula C11H26N4O2S and a molecular weight of 278.42 g/mol. Its IUPAC name is 1-ethyl-2-[3-(ethylsulfonylamino)propyl]-3-propan-2-ylguanidine.

Molecular Properties

Compound Name1-ethyl-2-[3-(ethylsulfonylamino)propyl]-3-propan-2-ylguanidine
PubChem CID111127023
Molecular FormulaC11H26N4O2S
Molecular Weight278.42 g/mol
Exact Mass278.18
IUPAC Name1-ethyl-2-[3-(ethylsulfonylamino)propyl]-3-propan-2-ylguanidine
SMILESCCN/C(=N\CCCNS(=O)(=O)CC)NC(C)C
InChIInChI=1S/C11H26N4O2S/c1-5-12-11(15-10(3)4)13-8-7-9-14-18(16,17)6-2/h10,14H,5-9H2,1-4H3,(H2,12,13,15)
InChIKeyQIYLXYCKKQPBLD-UHFFFAOYSA-N
XLogP0.28
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 50.28
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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Related Compounds

1-ethyl-2-[3-(ethylsulfonylamino)propyl]-3-(4-methylpentyl)guanidine;hydroiodide
CID 111943528
1-butan-2-yl-3-ethyl-2-[3-(methanesulfonamido)propyl]guanidine
CID 110944266
1-ethyl-2-[2-(ethylsulfonylamino)ethyl]-3-octan-2-ylguanidine
CID 111212645
1-ethyl-2-[3-(ethylsulfonylamino)propyl]-3-(2-piperidin-1-ylethyl)guanidine
CID 111417055
1-(3-cyclohexylpropyl)-3-ethyl-2-[3-(ethylsulfonylamino)propyl]guanidine
CID 111947635
N-[2-[[N-ethyl-N'-[3-(ethylsulfonylamino)propyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111928140
1-ethyl-3-[2-(ethylsulfonylamino)ethyl]-2-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide
CID 111400940
1-ethyl-3-[2-(ethylsulfonylamino)ethyl]-2-(3-methoxypropyl)guanidine
CID 110974537
1-[2-(3,5-dimethylphenyl)ethyl]-3-ethyl-2-[3-(ethylsulfonylamino)propyl]guanidine
CID 111649028
1-ethyl-2-[3-(ethylsulfonylamino)propyl]-3-(3-hydroxy-3-phenylpropyl)guanidine;hydroiodide
CID 111665241
1-ethyl-2-[3-(ethylsulfonylamino)propyl]-3-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine
CID 111651576
2-(3-anilinopropyl)-1-ethyl-3-propan-2-ylguanidine;hydroiodide
CID 111127393

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[3-(ethylsulfonylamino)propyl]-3-propan-2-ylguanidine?
The IUPAC name of 1-ethyl-2-[3-(ethylsulfonylamino)propyl]-3-propan-2-ylguanidine (CID 111127023) is 1-ethyl-2-[3-(ethylsulfonylamino)propyl]-3-propan-2-ylguanidine.
What is the SMILES notation for 1-ethyl-2-[3-(ethylsulfonylamino)propyl]-3-propan-2-ylguanidine?
The canonical SMILES for 1-ethyl-2-[3-(ethylsulfonylamino)propyl]-3-propan-2-ylguanidine is CCN/C(=N\CCCNS(=O)(=O)CC)NC(C)C.
What is the InChIKey of 1-ethyl-2-[3-(ethylsulfonylamino)propyl]-3-propan-2-ylguanidine?
The InChIKey is QIYLXYCKKQPBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N4O2S/c1-5-12-11(15-10(3)4)13-8-7-9-14-18(16,17)6-2/h10,14H,5-9H2,1-4H3,(H2,12,13,15).
What are the key properties of 1-ethyl-2-[3-(ethylsulfonylamino)propyl]-3-propan-2-ylguanidine?
1-ethyl-2-[3-(ethylsulfonylamino)propyl]-3-propan-2-ylguanidine has a molecular weight of 278.42 g/mol, XLogP of 0.28, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[3-(ethylsulfonylamino)propyl]-3-propan-2-ylguanidine is sourced from PubChem (CID 111127023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).