3-(ethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]propane-1-sulfonamide

C10H20N4O2S — CID 106066548

IUPAC3-(ethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]propane-1-sulfonamide
SMILESCCNCCCS(=O)(=O)NCCc1cnc[nH]1
InChIInChI=1S/C10H20N4O2S/c1-2-11-5-3-7-17(15,16)14-6-4-10-8-12-9-13-10/h8-9,11,14H,2-7H2,1H3,(H,12,13)
InChIKeyZEOCYAZOYGGHFW-UHFFFAOYSA-N
MW260.36 g/mol
LogP-0.13
Rot. Bonds9

About 3-(ethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]propane-1-sulfonamide

3-(ethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]propane-1-sulfonamide (PubChem CID 106066548) has the molecular formula C10H20N4O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is 3-(ethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-(ethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]propane-1-sulfonamide
PubChem CID106066548
Molecular FormulaC10H20N4O2S
Molecular Weight260.36 g/mol
Exact Mass260.13
IUPAC Name3-(ethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]propane-1-sulfonamide
SMILESCCNCCCS(=O)(=O)NCCc1cnc[nH]1
InChIInChI=1S/C10H20N4O2S/c1-2-11-5-3-7-17(15,16)14-6-4-10-8-12-9-13-10/h8-9,11,14H,2-7H2,1H3,(H,12,13)
InChIKeyZEOCYAZOYGGHFW-UHFFFAOYSA-N
XLogP-0.13
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 5-0.13
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

4-chloro-N-[2-(1H-imidazol-5-yl)ethyl]butane-1-sulfonamide
CID 116816269
4,4,4-trifluoro-N-[2-(1H-imidazol-5-yl)ethyl]butane-1-sulfonamide
CID 83059991
methyl 3-[2-(1H-imidazol-5-yl)ethylsulfamoyl]propanoate
CID 65231275
N-(1H-imidazol-5-ylmethyl)-3-(methylamino)propane-1-sulfonamide
CID 106069679
2-[2-(1H-imidazol-5-yl)ethylsulfamoyl]acetic acid
CID 65231882
3-(1H-imidazol-5-yl)-N-methylpropane-1-sulfonamide
CID 18682699
N-[2-(1H-imidazol-5-yl)ethyl]prop-2-ene-1-sulfonamide
CID 79673996
3-(ethylamino)-N-[2-(4-fluorophenyl)ethyl]propane-1-sulfonamide
CID 106049134
2-(ethylaminomethyl)-N-[2-(1H-imidazol-5-yl)ethyl]thiophene-3-sulfonamide
CID 106066571
1-(2-cyanophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]methanesulfonamide
CID 65231409
2-(2-aminophenoxy)-N-[2-(1H-imidazol-5-yl)ethyl]ethanesulfonamide
CID 65230784
2-(ethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide
CID 65231081

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]propane-1-sulfonamide?
The IUPAC name of 3-(ethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]propane-1-sulfonamide (CID 106066548) is 3-(ethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]propane-1-sulfonamide.
What is the SMILES notation for 3-(ethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]propane-1-sulfonamide?
The canonical SMILES for 3-(ethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]propane-1-sulfonamide is CCNCCCS(=O)(=O)NCCc1cnc[nH]1.
What is the InChIKey of 3-(ethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]propane-1-sulfonamide?
The InChIKey is ZEOCYAZOYGGHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2S/c1-2-11-5-3-7-17(15,16)14-6-4-10-8-12-9-13-10/h8-9,11,14H,2-7H2,1H3,(H,12,13).
What are the key properties of 3-(ethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]propane-1-sulfonamide?
3-(ethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]propane-1-sulfonamide has a molecular weight of 260.36 g/mol, XLogP of -0.13, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]propane-1-sulfonamide is sourced from PubChem (CID 106066548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).