N-butyl-2-(furan-2-ylmethylamino)ethanesulfonamide

C11H20N2O3S — CID 44602033

IUPACN-butyl-2-(furan-2-ylmethylamino)ethanesulfonamide
SMILESCCCCNS(=O)(=O)CCNCc1ccco1
InChIInChI=1S/C11H20N2O3S/c1-2-3-6-13-17(14,15)9-7-12-10-11-5-4-8-16-11/h4-5,8,12-13H,2-3,6-7,9-10H2,1H3
InChIKeyWBTHWNUWGOAJFH-UHFFFAOYSA-N
MW260.36 g/mol
LogP1.09
Rot. Bonds9

About N-butyl-2-(furan-2-ylmethylamino)ethanesulfonamide

N-butyl-2-(furan-2-ylmethylamino)ethanesulfonamide (PubChem CID 44602033) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is N-butyl-2-(furan-2-ylmethylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-butyl-2-(furan-2-ylmethylamino)ethanesulfonamide
PubChem CID44602033
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC NameN-butyl-2-(furan-2-ylmethylamino)ethanesulfonamide
SMILESCCCCNS(=O)(=O)CCNCc1ccco1
InChIInChI=1S/C11H20N2O3S/c1-2-3-6-13-17(14,15)9-7-12-10-11-5-4-8-16-11/h4-5,8,12-13H,2-3,6-7,9-10H2,1H3
InChIKeyWBTHWNUWGOAJFH-UHFFFAOYSA-N
XLogP1.09
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 51.09
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 N-butyl-2-(furan-2-ylmethylamino)ethanesulfonamide?
The IUPAC name of N-butyl-2-(furan-2-ylmethylamino)ethanesulfonamide (CID 44602033) is N-butyl-2-(furan-2-ylmethylamino)ethanesulfonamide.
What is the SMILES notation for N-butyl-2-(furan-2-ylmethylamino)ethanesulfonamide?
The canonical SMILES for N-butyl-2-(furan-2-ylmethylamino)ethanesulfonamide is CCCCNS(=O)(=O)CCNCc1ccco1.
What is the InChIKey of N-butyl-2-(furan-2-ylmethylamino)ethanesulfonamide?
The InChIKey is WBTHWNUWGOAJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-2-3-6-13-17(14,15)9-7-12-10-11-5-4-8-16-11/h4-5,8,12-13H,2-3,6-7,9-10H2,1H3.
What are the key properties of N-butyl-2-(furan-2-ylmethylamino)ethanesulfonamide?
N-butyl-2-(furan-2-ylmethylamino)ethanesulfonamide has a molecular weight of 260.36 g/mol, XLogP of 1.09, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(furan-2-ylmethylamino)ethanesulfonamide is sourced from PubChem (CID 44602033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).