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

C11H18N2O3S2 — CID 106425254

IUPACN-methyl-5-[(2-prop-2-enylsulfanylethylamino)methyl]furan-2-sulfonamide
SMILESC=CCSCCNCc1ccc(S(=O)(=O)NC)o1
InChIInChI=1S/C11H18N2O3S2/c1-3-7-17-8-6-13-9-10-4-5-11(16-10)18(14,15)12-2/h3-5,12-13H,1,6-9H2,2H3
InChIKeyFOZIJAMMGXNJOE-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.20
Rot. Bonds9

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

N-methyl-5-[(2-prop-2-enylsulfanylethylamino)methyl]furan-2-sulfonamide (PubChem CID 106425254) has the molecular formula C11H18N2O3S2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-methyl-5-[(2-prop-2-enylsulfanylethylamino)methyl]furan-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-5-[(2-prop-2-enylsulfanylethylamino)methyl]furan-2-sulfonamide
PubChem CID106425254
Molecular FormulaC11H18N2O3S2
Molecular Weight290.41 g/mol
Exact Mass290.08
IUPAC NameN-methyl-5-[(2-prop-2-enylsulfanylethylamino)methyl]furan-2-sulfonamide
SMILESC=CCSCCNCc1ccc(S(=O)(=O)NC)o1
InChIInChI=1S/C11H18N2O3S2/c1-3-7-17-8-6-13-9-10-4-5-11(16-10)18(14,15)12-2/h3-5,12-13H,1,6-9H2,2H3
InChIKeyFOZIJAMMGXNJOE-UHFFFAOYSA-N
XLogP1.20
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.20
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'}

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Related Compounds

N-methyl-5-[(2-prop-2-ynylsulfanylethylamino)methyl]furan-2-sulfonamide
CID 106426080
5-[(propan-2-ylamino)methyl]-N-(2-prop-2-enylsulfanylethyl)furan-2-sulfonamide
CID 106433444
5-(aminomethyl)-N-(2-prop-2-enylsulfanylethyl)furan-2-sulfonamide
CID 114188352
5-[(2,2-difluoroethylamino)methyl]-N-methylfuran-2-sulfonamide
CID 115405595
N-methyl-5-[(pent-4-ynylamino)methyl]furan-2-sulfonamide
CID 106220264
N-(2-but-3-enoxyethyl)-5-(propylaminomethyl)furan-2-sulfonamide
CID 106410031
5-[[(4-hydroxyphenyl)methylamino]methyl]-N-methylfuran-2-sulfonamide
CID 114331390
5-(chloromethyl)-N-methylfuran-2-sulfonamide
CID 6422154
N-(2-but-3-enoxyethyl)-5-(ethylaminomethyl)furan-2-sulfonamide
CID 106410034
N-(2-bromoprop-2-enyl)-5-(propylaminomethyl)furan-2-sulfonamide
CID 113465229
5-[[(4-hydroxycyclohexyl)methylamino]methyl]-N-methylfuran-2-sulfonamide
CID 106124948
5-[[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]methyl]-N-methylfuran-2-sulfonamide
CID 107850325

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[(2-prop-2-enylsulfanylethylamino)methyl]furan-2-sulfonamide?
The IUPAC name of N-methyl-5-[(2-prop-2-enylsulfanylethylamino)methyl]furan-2-sulfonamide (CID 106425254) is N-methyl-5-[(2-prop-2-enylsulfanylethylamino)methyl]furan-2-sulfonamide.
What is the SMILES notation for N-methyl-5-[(2-prop-2-enylsulfanylethylamino)methyl]furan-2-sulfonamide?
The canonical SMILES for N-methyl-5-[(2-prop-2-enylsulfanylethylamino)methyl]furan-2-sulfonamide is C=CCSCCNCc1ccc(S(=O)(=O)NC)o1.
What is the InChIKey of N-methyl-5-[(2-prop-2-enylsulfanylethylamino)methyl]furan-2-sulfonamide?
The InChIKey is FOZIJAMMGXNJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S2/c1-3-7-17-8-6-13-9-10-4-5-11(16-10)18(14,15)12-2/h3-5,12-13H,1,6-9H2,2H3.
What are the key properties of N-methyl-5-[(2-prop-2-enylsulfanylethylamino)methyl]furan-2-sulfonamide?
N-methyl-5-[(2-prop-2-enylsulfanylethylamino)methyl]furan-2-sulfonamide has a molecular weight of 290.41 g/mol, XLogP of 1.20, 9 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-enylsulfanylethylamino)methyl]furan-2-sulfonamide is sourced from PubChem (CID 106425254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).