2-methyl-5-(methylaminomethyl)-N-(1-thiophen-3-ylethyl)furan-3-sulfonamide

C13H18N2O3S2 — CID 106056501

IUPAC2-methyl-5-(methylaminomethyl)-N-(1-thiophen-3-ylethyl)furan-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NC(C)c2ccsc2)c(C)o1
InChIInChI=1S/C13H18N2O3S2/c1-9(11-4-5-19-8-11)15-20(16,17)13-6-12(7-14-3)18-10(13)2/h4-6,8-9,14-15H,7H2,1-3H3
InChIKeyLKOSZCXJEUJUSA-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.41
Rot. Bonds6

About 2-methyl-5-(methylaminomethyl)-N-(1-thiophen-3-ylethyl)furan-3-sulfonamide

2-methyl-5-(methylaminomethyl)-N-(1-thiophen-3-ylethyl)furan-3-sulfonamide (PubChem CID 106056501) has the molecular formula C13H18N2O3S2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-methyl-5-(methylaminomethyl)-N-(1-thiophen-3-ylethyl)furan-3-sulfonamide.

Molecular Properties

Compound Name2-methyl-5-(methylaminomethyl)-N-(1-thiophen-3-ylethyl)furan-3-sulfonamide
PubChem CID106056501
Molecular FormulaC13H18N2O3S2
Molecular Weight314.43 g/mol
Exact Mass314.08
IUPAC Name2-methyl-5-(methylaminomethyl)-N-(1-thiophen-3-ylethyl)furan-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NC(C)c2ccsc2)c(C)o1
InChIInChI=1S/C13H18N2O3S2/c1-9(11-4-5-19-8-11)15-20(16,17)13-6-12(7-14-3)18-10(13)2/h4-6,8-9,14-15H,7H2,1-3H3
InChIKeyLKOSZCXJEUJUSA-UHFFFAOYSA-N
XLogP2.41
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-2,3-dimethyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 62841485
4-[1-(methylamino)ethyl]-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 62844597
5-amino-2-methoxy-4-methyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 79962257
5-(aminomethyl)-4-methyl-N-(1-thiophen-3-ylethyl)thiophene-2-sulfonamide
CID 106056610
3-amino-5-fluoro-4-methyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 116791823
4-fluoro-2,6-dimethyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 107327103
4-(methylamino)-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 55130085
2-methyl-5-(methylaminomethyl)-N-(thian-4-ylmethyl)furan-3-sulfonamide
CID 106078516
1-[3-(methylaminomethyl)phenyl]-N-(1-thiophen-3-ylethyl)methanesulfonamide
CID 106056569
3-(aminomethyl)-2,5-dichloro-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 106056522
2-methyl-5-(propylaminomethyl)-N-thiophen-3-ylfuran-3-sulfonamide
CID 106070165
N-(1-thiophen-3-ylethyl)propane-2-sulfonamide
CID 64586301

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(methylaminomethyl)-N-(1-thiophen-3-ylethyl)furan-3-sulfonamide?
The IUPAC name of 2-methyl-5-(methylaminomethyl)-N-(1-thiophen-3-ylethyl)furan-3-sulfonamide (CID 106056501) is 2-methyl-5-(methylaminomethyl)-N-(1-thiophen-3-ylethyl)furan-3-sulfonamide.
What is the SMILES notation for 2-methyl-5-(methylaminomethyl)-N-(1-thiophen-3-ylethyl)furan-3-sulfonamide?
The canonical SMILES for 2-methyl-5-(methylaminomethyl)-N-(1-thiophen-3-ylethyl)furan-3-sulfonamide is CNCc1cc(S(=O)(=O)NC(C)c2ccsc2)c(C)o1.
What is the InChIKey of 2-methyl-5-(methylaminomethyl)-N-(1-thiophen-3-ylethyl)furan-3-sulfonamide?
The InChIKey is LKOSZCXJEUJUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S2/c1-9(11-4-5-19-8-11)15-20(16,17)13-6-12(7-14-3)18-10(13)2/h4-6,8-9,14-15H,7H2,1-3H3.
What are the key properties of 2-methyl-5-(methylaminomethyl)-N-(1-thiophen-3-ylethyl)furan-3-sulfonamide?
2-methyl-5-(methylaminomethyl)-N-(1-thiophen-3-ylethyl)furan-3-sulfonamide has a molecular weight of 314.43 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(methylaminomethyl)-N-(1-thiophen-3-ylethyl)furan-3-sulfonamide is sourced from PubChem (CID 106056501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).