2-methyl-5-(propylaminomethyl)-N-thiophen-3-ylfuran-3-sulfonamide

C13H18N2O3S2 — CID 106070165

IUPAC2-methyl-5-(propylaminomethyl)-N-thiophen-3-ylfuran-3-sulfonamide
SMILESCCCNCc1cc(S(=O)(=O)Nc2ccsc2)c(C)o1
InChIInChI=1S/C13H18N2O3S2/c1-3-5-14-8-12-7-13(10(2)18-12)20(16,17)15-11-4-6-19-9-11/h4,6-7,9,14-15H,3,5,8H2,1-2H3
InChIKeyUHIRJIJFWGQWQT-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.95
Rot. Bonds7

About 2-methyl-5-(propylaminomethyl)-N-thiophen-3-ylfuran-3-sulfonamide

2-methyl-5-(propylaminomethyl)-N-thiophen-3-ylfuran-3-sulfonamide (PubChem CID 106070165) has the molecular formula C13H18N2O3S2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-methyl-5-(propylaminomethyl)-N-thiophen-3-ylfuran-3-sulfonamide.

Molecular Properties

Compound Name2-methyl-5-(propylaminomethyl)-N-thiophen-3-ylfuran-3-sulfonamide
PubChem CID106070165
Molecular FormulaC13H18N2O3S2
Molecular Weight314.43 g/mol
Exact Mass314.08
IUPAC Name2-methyl-5-(propylaminomethyl)-N-thiophen-3-ylfuran-3-sulfonamide
SMILESCCCNCc1cc(S(=O)(=O)Nc2ccsc2)c(C)o1
InChIInChI=1S/C13H18N2O3S2/c1-3-5-14-8-12-7-13(10(2)18-12)20(16,17)15-11-4-6-19-9-11/h4,6-7,9,14-15H,3,5,8H2,1-2H3
InChIKeyUHIRJIJFWGQWQT-UHFFFAOYSA-N
XLogP2.95
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-5-(propylaminomethyl)furan-3-sulfonamide
CID 106061132
3-(propylaminomethyl)-N-thiophen-3-ylbenzenesulfonamide
CID 106070111
N-(cyclobutylmethyl)-2-methyl-5-(propylaminomethyl)furan-3-sulfonamide
CID 106025005
2-methyl-5-(propylaminomethyl)-N-(thiolan-3-yl)furan-3-sulfonamide
CID 106086445
5-(ethylaminomethyl)-2,4-dimethyl-N-thiophen-3-ylbenzenesulfonamide
CID 106069990
2-methyl-5-(methylaminomethyl)-N-thiophen-3-ylthiophene-3-sulfonamide
CID 114141600
5-(ethylaminomethyl)-2-methyl-N-(5-methyl-3-pyridinyl)furan-3-sulfonamide
CID 106088026
2-methyl-5-(propylaminomethyl)-N-(thian-3-yl)furan-3-sulfonamide
CID 106081609
2-bromo-5-(propylaminomethyl)-N-pyridin-3-ylfuran-3-sulfonamide
CID 106033085
2-bromo-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(propylaminomethyl)furan-3-sulfonamide
CID 106082750
2-methyl-5-(methylaminomethyl)-N-(1-thiophen-3-ylethyl)furan-3-sulfonamide
CID 106056501
5-(ethylaminomethyl)-2-methyl-N-(1,3-thiazol-2-yl)furan-3-sulfonamide
CID 106031731

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(propylaminomethyl)-N-thiophen-3-ylfuran-3-sulfonamide?
The IUPAC name of 2-methyl-5-(propylaminomethyl)-N-thiophen-3-ylfuran-3-sulfonamide (CID 106070165) is 2-methyl-5-(propylaminomethyl)-N-thiophen-3-ylfuran-3-sulfonamide.
What is the SMILES notation for 2-methyl-5-(propylaminomethyl)-N-thiophen-3-ylfuran-3-sulfonamide?
The canonical SMILES for 2-methyl-5-(propylaminomethyl)-N-thiophen-3-ylfuran-3-sulfonamide is CCCNCc1cc(S(=O)(=O)Nc2ccsc2)c(C)o1.
What is the InChIKey of 2-methyl-5-(propylaminomethyl)-N-thiophen-3-ylfuran-3-sulfonamide?
The InChIKey is UHIRJIJFWGQWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S2/c1-3-5-14-8-12-7-13(10(2)18-12)20(16,17)15-11-4-6-19-9-11/h4,6-7,9,14-15H,3,5,8H2,1-2H3.
What are the key properties of 2-methyl-5-(propylaminomethyl)-N-thiophen-3-ylfuran-3-sulfonamide?
2-methyl-5-(propylaminomethyl)-N-thiophen-3-ylfuran-3-sulfonamide has a molecular weight of 314.43 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(propylaminomethyl)-N-thiophen-3-ylfuran-3-sulfonamide is sourced from PubChem (CID 106070165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).