2-[2-(furan-2-yl)ethylamino]ethanesulfonamide

C8H14N2O3S — CID 114384896

IUPAC2-[2-(furan-2-yl)ethylamino]ethanesulfonamide
SMILESNS(=O)(=O)CCNCCc1ccco1
InChIInChI=1S/C8H14N2O3S/c9-14(11,12)7-5-10-4-3-8-2-1-6-13-8/h1-2,6,10H,3-5,7H2,(H2,9,11,12)
InChIKeyBSNQJTAZZXWLHB-UHFFFAOYSA-N
MW218.28 g/mol
LogP-0.30
Rot. Bonds6

About 2-[2-(furan-2-yl)ethylamino]ethanesulfonamide

2-[2-(furan-2-yl)ethylamino]ethanesulfonamide (PubChem CID 114384896) has the molecular formula C8H14N2O3S and a molecular weight of 218.28 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)ethylamino]ethanesulfonamide.

Molecular Properties

Compound Name2-[2-(furan-2-yl)ethylamino]ethanesulfonamide
PubChem CID114384896
Molecular FormulaC8H14N2O3S
Molecular Weight218.28 g/mol
Exact Mass218.07
IUPAC Name2-[2-(furan-2-yl)ethylamino]ethanesulfonamide
SMILESNS(=O)(=O)CCNCCc1ccco1
InChIInChI=1S/C8H14N2O3S/c9-14(11,12)7-5-10-4-3-8-2-1-6-13-8/h1-2,6,10H,3-5,7H2,(H2,9,11,12)
InChIKeyBSNQJTAZZXWLHB-UHFFFAOYSA-N
XLogP-0.30
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)ethylamino]ethanesulfonamide?
The IUPAC name of 2-[2-(furan-2-yl)ethylamino]ethanesulfonamide (CID 114384896) is 2-[2-(furan-2-yl)ethylamino]ethanesulfonamide.
What is the SMILES notation for 2-[2-(furan-2-yl)ethylamino]ethanesulfonamide?
The canonical SMILES for 2-[2-(furan-2-yl)ethylamino]ethanesulfonamide is NS(=O)(=O)CCNCCc1ccco1.
What is the InChIKey of 2-[2-(furan-2-yl)ethylamino]ethanesulfonamide?
The InChIKey is BSNQJTAZZXWLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3S/c9-14(11,12)7-5-10-4-3-8-2-1-6-13-8/h1-2,6,10H,3-5,7H2,(H2,9,11,12).
What are the key properties of 2-[2-(furan-2-yl)ethylamino]ethanesulfonamide?
2-[2-(furan-2-yl)ethylamino]ethanesulfonamide has a molecular weight of 218.28 g/mol, XLogP of -0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-yl)ethylamino]ethanesulfonamide is sourced from PubChem (CID 114384896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).