N-but-3-enyl-5-(ethylaminomethyl)-N-methylfuran-2-sulfonamide

C12H20N2O3S — CID 114265091

IUPACN-but-3-enyl-5-(ethylaminomethyl)-N-methylfuran-2-sulfonamide
SMILESC=CCCN(C)S(=O)(=O)c1ccc(CNCC)o1
InChIInChI=1S/C12H20N2O3S/c1-4-6-9-14(3)18(15,16)12-8-7-11(17-12)10-13-5-2/h4,7-8,13H,1,5-6,9-10H2,2-3H3
InChIKeyGZVKMYORVOZLGR-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.59
Rot. Bonds8

About N-but-3-enyl-5-(ethylaminomethyl)-N-methylfuran-2-sulfonamide

N-but-3-enyl-5-(ethylaminomethyl)-N-methylfuran-2-sulfonamide (PubChem CID 114265091) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-but-3-enyl-5-(ethylaminomethyl)-N-methylfuran-2-sulfonamide.

Molecular Properties

Compound NameN-but-3-enyl-5-(ethylaminomethyl)-N-methylfuran-2-sulfonamide
PubChem CID114265091
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC NameN-but-3-enyl-5-(ethylaminomethyl)-N-methylfuran-2-sulfonamide
SMILESC=CCCN(C)S(=O)(=O)c1ccc(CNCC)o1
InChIInChI=1S/C12H20N2O3S/c1-4-6-9-14(3)18(15,16)12-8-7-11(17-12)10-13-5-2/h4,7-8,13H,1,5-6,9-10H2,2-3H3
InChIKeyGZVKMYORVOZLGR-UHFFFAOYSA-N
XLogP1.59
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-but-3-enyl-N-methyl-5-(methylaminomethyl)furan-2-sulfonamide
CID 114265090
N-(2-ethoxyethyl)-5-(ethylaminomethyl)-N-methylfuran-2-sulfonamide
CID 81074904
N-but-3-enyl-2-(ethylaminomethyl)-N-methylthiophene-3-sulfonamide
CID 114265104
N-(2-but-3-enoxyethyl)-5-(ethylaminomethyl)furan-2-sulfonamide
CID 106410034
N-ethyl-5-(ethylaminomethyl)-N-(2-methylbutyl)furan-2-sulfonamide
CID 79470714
N-(2-ethoxyethyl)-5-[(2-methoxyethylamino)methyl]-N-methylfuran-2-sulfonamide
CID 81063705
N-(2-but-3-enoxyethyl)-5-(propylaminomethyl)furan-2-sulfonamide
CID 106410031
5-(ethylaminomethyl)-N-(3-methylpentan-3-yl)furan-2-sulfonamide
CID 106331722
N,N-dimethyl-5-[[3-[methyl(propan-2-yl)amino]propylamino]methyl]furan-2-sulfonamide
CID 106040255
5-(ethylaminomethyl)-N-(4-hydroxybutyl)furan-2-sulfonamide
CID 106846834
5-[[5-(dimethylsulfamoyl)furan-2-yl]methylamino]pentanamide
CID 106233401
5-(ethylaminomethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]furan-2-sulfonamide
CID 79266874

Frequently Asked Questions

What is the IUPAC name of N-but-3-enyl-5-(ethylaminomethyl)-N-methylfuran-2-sulfonamide?
The IUPAC name of N-but-3-enyl-5-(ethylaminomethyl)-N-methylfuran-2-sulfonamide (CID 114265091) is N-but-3-enyl-5-(ethylaminomethyl)-N-methylfuran-2-sulfonamide.
What is the SMILES notation for N-but-3-enyl-5-(ethylaminomethyl)-N-methylfuran-2-sulfonamide?
The canonical SMILES for N-but-3-enyl-5-(ethylaminomethyl)-N-methylfuran-2-sulfonamide is C=CCCN(C)S(=O)(=O)c1ccc(CNCC)o1.
What is the InChIKey of N-but-3-enyl-5-(ethylaminomethyl)-N-methylfuran-2-sulfonamide?
The InChIKey is GZVKMYORVOZLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-4-6-9-14(3)18(15,16)12-8-7-11(17-12)10-13-5-2/h4,7-8,13H,1,5-6,9-10H2,2-3H3.
What are the key properties of N-but-3-enyl-5-(ethylaminomethyl)-N-methylfuran-2-sulfonamide?
N-but-3-enyl-5-(ethylaminomethyl)-N-methylfuran-2-sulfonamide has a molecular weight of 272.37 g/mol, XLogP of 1.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enyl-5-(ethylaminomethyl)-N-methylfuran-2-sulfonamide is sourced from PubChem (CID 114265091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).