N-methyl-5-[(2-prop-2-ynylsulfanylethylamino)methyl]furan-2-sulfonamide

C11H16N2O3S2 — CID 106426080

IUPACN-methyl-5-[(2-prop-2-ynylsulfanylethylamino)methyl]furan-2-sulfonamide
SMILESC#CCSCCNCc1ccc(S(=O)(=O)NC)o1
InChIInChI=1S/C11H16N2O3S2/c1-3-7-17-8-6-13-9-10-4-5-11(16-10)18(14,15)12-2/h1,4-5,12-13H,6-9H2,2H3
InChIKeyJCEUHWYCIZBPSO-UHFFFAOYSA-N
MW288.39 g/mol
LogP0.64
Rot. Bonds8

About N-methyl-5-[(2-prop-2-ynylsulfanylethylamino)methyl]furan-2-sulfonamide

N-methyl-5-[(2-prop-2-ynylsulfanylethylamino)methyl]furan-2-sulfonamide (PubChem CID 106426080) has the molecular formula C11H16N2O3S2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-methyl-5-[(2-prop-2-ynylsulfanylethylamino)methyl]furan-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-5-[(2-prop-2-ynylsulfanylethylamino)methyl]furan-2-sulfonamide
PubChem CID106426080
Molecular FormulaC11H16N2O3S2
Molecular Weight288.39 g/mol
Exact Mass288.06
IUPAC NameN-methyl-5-[(2-prop-2-ynylsulfanylethylamino)methyl]furan-2-sulfonamide
SMILESC#CCSCCNCc1ccc(S(=O)(=O)NC)o1
InChIInChI=1S/C11H16N2O3S2/c1-3-7-17-8-6-13-9-10-4-5-11(16-10)18(14,15)12-2/h1,4-5,12-13H,6-9H2,2H3
InChIKeyJCEUHWYCIZBPSO-UHFFFAOYSA-N
XLogP0.64
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-methyl-5-[(2-prop-2-ynylsulfanylethylamino)methyl]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

N-methyl-5-[(pent-4-ynylamino)methyl]furan-2-sulfonamide
CID 106220264
N-methyl-5-[(2-prop-2-enylsulfanylethylamino)methyl]furan-2-sulfonamide
CID 106425254
[5-[(2-prop-2-ynylsulfanylethylamino)methyl]furan-2-yl]methanol
CID 115654436
5-[(2,2-difluoroethylamino)methyl]-N-methylfuran-2-sulfonamide
CID 115405595
5-[[(4-hydroxyphenyl)methylamino]methyl]-N-methylfuran-2-sulfonamide
CID 114331390
5-(chloromethyl)-N-methylfuran-2-sulfonamide
CID 6422154
5-[[(4-hydroxycyclohexyl)methylamino]methyl]-N-methylfuran-2-sulfonamide
CID 106124948
N-methyl-5-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]furan-2-sulfonamide
CID 106379707
5-[[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]methyl]-N-methylfuran-2-sulfonamide
CID 107850325
N-methyl-5-[[(2-methylthiolan-2-yl)methylamino]methyl]furan-2-sulfonamide
CID 80725729
N-[(2-chlorophenyl)methyl]-2-prop-2-ynylsulfanylethanamine
CID 115642950
N-(2-bromoprop-2-enyl)-5-(propylaminomethyl)furan-2-sulfonamide
CID 113465229

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[(2-prop-2-ynylsulfanylethylamino)methyl]furan-2-sulfonamide?
The IUPAC name of N-methyl-5-[(2-prop-2-ynylsulfanylethylamino)methyl]furan-2-sulfonamide (CID 106426080) is N-methyl-5-[(2-prop-2-ynylsulfanylethylamino)methyl]furan-2-sulfonamide.
What is the SMILES notation for N-methyl-5-[(2-prop-2-ynylsulfanylethylamino)methyl]furan-2-sulfonamide?
The canonical SMILES for N-methyl-5-[(2-prop-2-ynylsulfanylethylamino)methyl]furan-2-sulfonamide is C#CCSCCNCc1ccc(S(=O)(=O)NC)o1.
What is the InChIKey of N-methyl-5-[(2-prop-2-ynylsulfanylethylamino)methyl]furan-2-sulfonamide?
The InChIKey is JCEUHWYCIZBPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S2/c1-3-7-17-8-6-13-9-10-4-5-11(16-10)18(14,15)12-2/h1,4-5,12-13H,6-9H2,2H3.
What are the key properties of N-methyl-5-[(2-prop-2-ynylsulfanylethylamino)methyl]furan-2-sulfonamide?
N-methyl-5-[(2-prop-2-ynylsulfanylethylamino)methyl]furan-2-sulfonamide has a molecular weight of 288.39 g/mol, XLogP of 0.64, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[(2-prop-2-ynylsulfanylethylamino)methyl]furan-2-sulfonamide is sourced from PubChem (CID 106426080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).