2-[1-(1H-imidazol-2-yl)ethylamino]ethanesulfonamide

C7H14N4O2S — CID 114385222

IUPAC2-[1-(1H-imidazol-2-yl)ethylamino]ethanesulfonamide
SMILESCC(NCCS(N)(=O)=O)c1ncc[nH]1
InChIInChI=1S/C7H14N4O2S/c1-6(7-10-2-3-11-7)9-4-5-14(8,12)13/h2-3,6,9H,4-5H2,1H3,(H,10,11)(H2,8,12,13)
InChIKeyYGQJTTSUKOIDTB-UHFFFAOYSA-N
MW218.28 g/mol
LogP-0.65
Rot. Bonds5

About 2-[1-(1H-imidazol-2-yl)ethylamino]ethanesulfonamide

2-[1-(1H-imidazol-2-yl)ethylamino]ethanesulfonamide (PubChem CID 114385222) has the molecular formula C7H14N4O2S and a molecular weight of 218.28 g/mol. Its IUPAC name is 2-[1-(1H-imidazol-2-yl)ethylamino]ethanesulfonamide.

Molecular Properties

Compound Name2-[1-(1H-imidazol-2-yl)ethylamino]ethanesulfonamide
PubChem CID114385222
Molecular FormulaC7H14N4O2S
Molecular Weight218.28 g/mol
Exact Mass218.08
IUPAC Name2-[1-(1H-imidazol-2-yl)ethylamino]ethanesulfonamide
SMILESCC(NCCS(N)(=O)=O)c1ncc[nH]1
InChIInChI=1S/C7H14N4O2S/c1-6(7-10-2-3-11-7)9-4-5-14(8,12)13/h2-3,6,9H,4-5H2,1H3,(H,10,11)(H2,8,12,13)
InChIKeyYGQJTTSUKOIDTB-UHFFFAOYSA-N
XLogP-0.65
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(1H-imidazol-2-yl)ethylamino]acetaldehyde
CID 173197024
1-(1H-imidazol-2-yl)-N-(2-methoxyethyl)ethanamine
CID 53405687
N-[1-(1H-imidazol-2-yl)ethylsulfamoyl]propan-1-amine
CID 114810309
N'-[1-(1H-imidazol-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 107442813
N-benzyl-1-(1H-imidazol-2-yl)ethanamine
CID 22398694
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]ethanesulfonamide
CID 103912645
1-(1H-imidazol-2-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 91513422
2-[1-(3,5-dihydroxyphenyl)ethylamino]ethanesulfonamide
CID 107705457
2-[1-(2-bromophenyl)ethylamino]ethanesulfonamide
CID 43551890
5-amino-4-bromo-N-[1-(1H-imidazol-2-yl)ethyl]-2-methylbenzenesulfonamide
CID 114626241
2-[(4-hydroxy-3-methylbutan-2-yl)amino]ethanesulfonamide
CID 114385300
hydrazine;2-propan-2-yl-1H-imidazole
CID 158955026

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1H-imidazol-2-yl)ethylamino]ethanesulfonamide?
The IUPAC name of 2-[1-(1H-imidazol-2-yl)ethylamino]ethanesulfonamide (CID 114385222) is 2-[1-(1H-imidazol-2-yl)ethylamino]ethanesulfonamide.
What is the SMILES notation for 2-[1-(1H-imidazol-2-yl)ethylamino]ethanesulfonamide?
The canonical SMILES for 2-[1-(1H-imidazol-2-yl)ethylamino]ethanesulfonamide is CC(NCCS(N)(=O)=O)c1ncc[nH]1.
What is the InChIKey of 2-[1-(1H-imidazol-2-yl)ethylamino]ethanesulfonamide?
The InChIKey is YGQJTTSUKOIDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O2S/c1-6(7-10-2-3-11-7)9-4-5-14(8,12)13/h2-3,6,9H,4-5H2,1H3,(H,10,11)(H2,8,12,13).
What are the key properties of 2-[1-(1H-imidazol-2-yl)ethylamino]ethanesulfonamide?
2-[1-(1H-imidazol-2-yl)ethylamino]ethanesulfonamide has a molecular weight of 218.28 g/mol, XLogP of -0.65, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1H-imidazol-2-yl)ethylamino]ethanesulfonamide is sourced from PubChem (CID 114385222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).