2-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]-1H-imidazole

C11H23N5O2S — CID 106085278

IUPAC2-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]-1H-imidazole
SMILESCCNCCCN(C)S(=O)(=O)NCCc1ncc[nH]1
InChIInChI=1S/C11H23N5O2S/c1-3-12-6-4-10-16(2)19(17,18)15-7-5-11-13-8-9-14-11/h8-9,12,15H,3-7,10H2,1-2H3,(H,13,14)
InChIKeyOUYVYFGPKQGXTC-UHFFFAOYSA-N
MW289.40 g/mol
LogP-0.28
Rot. Bonds10

About 2-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]-1H-imidazole

2-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]-1H-imidazole (PubChem CID 106085278) has the molecular formula C11H23N5O2S and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]-1H-imidazole.

Molecular Properties

Compound Name2-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]-1H-imidazole
PubChem CID106085278
Molecular FormulaC11H23N5O2S
Molecular Weight289.40 g/mol
Exact Mass289.16
IUPAC Name2-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]-1H-imidazole
SMILESCCNCCCN(C)S(=O)(=O)NCCc1ncc[nH]1
InChIInChI=1S/C11H23N5O2S/c1-3-12-6-4-10-16(2)19(17,18)15-7-5-11-13-8-9-14-11/h8-9,12,15H,3-7,10H2,1-2H3,(H,13,14)
InChIKeyOUYVYFGPKQGXTC-UHFFFAOYSA-N
XLogP-0.28
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]-1,2,4-oxadiazole
CID 106411298
2-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]-1H-imidazole
CID 106069204
2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]pyrimidine
CID 114141697
1-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]imidazole
CID 106018170
1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-4-methylpentane
CID 106017119
3-(ethylaminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 106085279
4-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-3-methylpyridine
CID 106083594
N-[3-(1H-imidazol-2-ylmethylamino)propyl]ethanesulfonamide
CID 119111794
2-[(dimethylsulfamoylamino)methyl]-1H-imidazole
CID 64532113
4-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-1,3,5-trimethylpyrazole
CID 106069841
4-[1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]pyridine
CID 106022387
5-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-methylpyridine
CID 106073291

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]-1H-imidazole?
The IUPAC name of 2-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]-1H-imidazole (CID 106085278) is 2-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]-1H-imidazole.
What is the SMILES notation for 2-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]-1H-imidazole?
The canonical SMILES for 2-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]-1H-imidazole is CCNCCCN(C)S(=O)(=O)NCCc1ncc[nH]1.
What is the InChIKey of 2-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]-1H-imidazole?
The InChIKey is OUYVYFGPKQGXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N5O2S/c1-3-12-6-4-10-16(2)19(17,18)15-7-5-11-13-8-9-14-11/h8-9,12,15H,3-7,10H2,1-2H3,(H,13,14).
What are the key properties of 2-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]-1H-imidazole?
2-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]-1H-imidazole has a molecular weight of 289.40 g/mol, XLogP of -0.28, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]-1H-imidazole is sourced from PubChem (CID 106085278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).