N-but-3-enyl-N-methyl-5-(methylaminomethyl)furan-2-sulfonamide

C11H18N2O3S — CID 114265090

IUPACN-but-3-enyl-N-methyl-5-(methylaminomethyl)furan-2-sulfonamide
SMILESC=CCCN(C)S(=O)(=O)c1ccc(CNC)o1
InChIInChI=1S/C11H18N2O3S/c1-4-5-8-13(3)17(14,15)11-7-6-10(16-11)9-12-2/h4,6-7,12H,1,5,8-9H2,2-3H3
InChIKeyRNAWEMRYTMZSAM-UHFFFAOYSA-N
MW258.34 g/mol
LogP1.20
Rot. Bonds7

About N-but-3-enyl-N-methyl-5-(methylaminomethyl)furan-2-sulfonamide

N-but-3-enyl-N-methyl-5-(methylaminomethyl)furan-2-sulfonamide (PubChem CID 114265090) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is N-but-3-enyl-N-methyl-5-(methylaminomethyl)furan-2-sulfonamide.

Molecular Properties

Compound NameN-but-3-enyl-N-methyl-5-(methylaminomethyl)furan-2-sulfonamide
PubChem CID114265090
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC NameN-but-3-enyl-N-methyl-5-(methylaminomethyl)furan-2-sulfonamide
SMILESC=CCCN(C)S(=O)(=O)c1ccc(CNC)o1
InChIInChI=1S/C11H18N2O3S/c1-4-5-8-13(3)17(14,15)11-7-6-10(16-11)9-12-2/h4,6-7,12H,1,5,8-9H2,2-3H3
InChIKeyRNAWEMRYTMZSAM-UHFFFAOYSA-N
XLogP1.20
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 51.20
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-5-(ethylaminomethyl)-N-methylfuran-2-sulfonamide
CID 114265091
N-(2-ethoxyethyl)-5-(ethylaminomethyl)-N-methylfuran-2-sulfonamide
CID 81074904
N-[2-[cyclopropyl(methyl)amino]ethyl]-5-(methylaminomethyl)furan-2-sulfonamide
CID 106062802
N-(2-ethoxyethyl)-5-[(2-methoxyethylamino)methyl]-N-methylfuran-2-sulfonamide
CID 81063705
N-but-3-enyl-2-chloro-N-methyl-5-nitrobenzenesulfonamide
CID 114265138
1-[5-(but-3-enoxymethyl)furan-2-yl]-N-methylmethanamine
CID 62443034
N-but-3-enyl-2-(ethylaminomethyl)-N-methylthiophene-3-sulfonamide
CID 114265104
5-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-prop-2-enylfuran-2-sulfonamide
CID 103340526
5-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-N,N-dimethylfuran-2-sulfonamide
CID 63905160
5-(methylaminomethyl)-N-[2-(methylsulfamoyl)ethyl]furan-2-sulfonamide
CID 106342936
N,N-dimethyl-5-[[3-[methyl(propan-2-yl)amino]propylamino]methyl]furan-2-sulfonamide
CID 106040255
N-[2-[cyclopropyl(ethyl)amino]ethyl]-5-(methylaminomethyl)furan-2-sulfonamide
CID 106094078

Frequently Asked Questions

What is the IUPAC name of N-but-3-enyl-N-methyl-5-(methylaminomethyl)furan-2-sulfonamide?
The IUPAC name of N-but-3-enyl-N-methyl-5-(methylaminomethyl)furan-2-sulfonamide (CID 114265090) is N-but-3-enyl-N-methyl-5-(methylaminomethyl)furan-2-sulfonamide.
What is the SMILES notation for N-but-3-enyl-N-methyl-5-(methylaminomethyl)furan-2-sulfonamide?
The canonical SMILES for N-but-3-enyl-N-methyl-5-(methylaminomethyl)furan-2-sulfonamide is C=CCCN(C)S(=O)(=O)c1ccc(CNC)o1.
What is the InChIKey of N-but-3-enyl-N-methyl-5-(methylaminomethyl)furan-2-sulfonamide?
The InChIKey is RNAWEMRYTMZSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-4-5-8-13(3)17(14,15)11-7-6-10(16-11)9-12-2/h4,6-7,12H,1,5,8-9H2,2-3H3.
What are the key properties of N-but-3-enyl-N-methyl-5-(methylaminomethyl)furan-2-sulfonamide?
N-but-3-enyl-N-methyl-5-(methylaminomethyl)furan-2-sulfonamide has a molecular weight of 258.34 g/mol, XLogP of 1.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enyl-N-methyl-5-(methylaminomethyl)furan-2-sulfonamide is sourced from PubChem (CID 114265090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).