5-(aminomethyl)-N-(2-prop-2-enylsulfanylethyl)furan-2-sulfonamide

C10H16N2O3S2 — CID 114188352

IUPAC5-(aminomethyl)-N-(2-prop-2-enylsulfanylethyl)furan-2-sulfonamide
SMILESC=CCSCCNS(=O)(=O)c1ccc(CN)o1
InChIInChI=1S/C10H16N2O3S2/c1-2-6-16-7-5-12-17(13,14)10-4-3-9(8-11)15-10/h2-4,12H,1,5-8,11H2
InChIKeyYNKQZBCRFOOPBG-UHFFFAOYSA-N
MW276.38 g/mol
LogP0.94
Rot. Bonds8

About 5-(aminomethyl)-N-(2-prop-2-enylsulfanylethyl)furan-2-sulfonamide

5-(aminomethyl)-N-(2-prop-2-enylsulfanylethyl)furan-2-sulfonamide (PubChem CID 114188352) has the molecular formula C10H16N2O3S2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2-prop-2-enylsulfanylethyl)furan-2-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2-prop-2-enylsulfanylethyl)furan-2-sulfonamide
PubChem CID114188352
Molecular FormulaC10H16N2O3S2
Molecular Weight276.38 g/mol
Exact Mass276.06
IUPAC Name5-(aminomethyl)-N-(2-prop-2-enylsulfanylethyl)furan-2-sulfonamide
SMILESC=CCSCCNS(=O)(=O)c1ccc(CN)o1
InChIInChI=1S/C10H16N2O3S2/c1-2-6-16-7-5-12-17(13,14)10-4-3-9(8-11)15-10/h2-4,12H,1,5-8,11H2
InChIKeyYNKQZBCRFOOPBG-UHFFFAOYSA-N
XLogP0.94
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(aminomethyl)-N-(2-prop-2-enylsulfanylethyl)furan-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(propan-2-ylamino)methyl]-N-(2-prop-2-enylsulfanylethyl)furan-2-sulfonamide
CID 106433444
N-methyl-5-[(2-prop-2-enylsulfanylethylamino)methyl]furan-2-sulfonamide
CID 106425254
5-(aminomethyl)-N-(2-ethylsulfonylethyl)furan-2-sulfonamide
CID 114112494
4-amino-3-nitro-N-(2-prop-2-enylsulfanylethyl)benzenesulfonamide
CID 106430175
2-amino-4,5-dimethyl-N-(2-prop-2-enylsulfanylethyl)benzenesulfonamide
CID 106425500
5-(aminomethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]furan-2-sulfonamide
CID 106050572
3-amino-4-(2-prop-2-enylsulfanylethylsulfamoyl)benzoic acid
CID 106425421
4-amino-2,6-dimethyl-N-(2-prop-2-enylsulfanylethyl)benzenesulfonamide
CID 106425511
5-(aminomethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]furan-2-sulfonamide
CID 114516893
5-(aminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]furan-2-sulfonamide
CID 106085204
5-(aminomethyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]furan-2-sulfonamide
CID 80686088
3-fluoro-4-(2-prop-2-enylsulfanylethylsulfamoyl)benzenesulfonyl chloride
CID 106428409

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(2-prop-2-enylsulfanylethyl)furan-2-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(2-prop-2-enylsulfanylethyl)furan-2-sulfonamide (CID 114188352) is 5-(aminomethyl)-N-(2-prop-2-enylsulfanylethyl)furan-2-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(2-prop-2-enylsulfanylethyl)furan-2-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(2-prop-2-enylsulfanylethyl)furan-2-sulfonamide is C=CCSCCNS(=O)(=O)c1ccc(CN)o1.
What is the InChIKey of 5-(aminomethyl)-N-(2-prop-2-enylsulfanylethyl)furan-2-sulfonamide?
The InChIKey is YNKQZBCRFOOPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S2/c1-2-6-16-7-5-12-17(13,14)10-4-3-9(8-11)15-10/h2-4,12H,1,5-8,11H2.
What are the key properties of 5-(aminomethyl)-N-(2-prop-2-enylsulfanylethyl)furan-2-sulfonamide?
5-(aminomethyl)-N-(2-prop-2-enylsulfanylethyl)furan-2-sulfonamide has a molecular weight of 276.38 g/mol, XLogP of 0.94, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(2-prop-2-enylsulfanylethyl)furan-2-sulfonamide is sourced from PubChem (CID 114188352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).