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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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).