N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)furan-2-sulfonamide

C13H24N2O3S2 — CID 115988547

IUPACN-methyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)furan-2-sulfonamide
SMILESCCCNCc1ccc(S(=O)(=O)N(C)C(C)CSC)o1
InChIInChI=1S/C13H24N2O3S2/c1-5-8-14-9-12-6-7-13(18-12)20(16,17)15(3)11(2)10-19-4/h6-7,11,14H,5,8-10H2,1-4H3
InChIKeyTUAREXNDJKPQOP-UHFFFAOYSA-N
MW320.48 g/mol
LogP2.15
Rot. Bonds9

About N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)furan-2-sulfonamide

N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)furan-2-sulfonamide (PubChem CID 115988547) has the molecular formula C13H24N2O3S2 and a molecular weight of 320.48 g/mol. Its IUPAC name is N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)furan-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)furan-2-sulfonamide
PubChem CID115988547
Molecular FormulaC13H24N2O3S2
Molecular Weight320.48 g/mol
Exact Mass320.12
IUPAC NameN-methyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)furan-2-sulfonamide
SMILESCCCNCc1ccc(S(=O)(=O)N(C)C(C)CSC)o1
InChIInChI=1S/C13H24N2O3S2/c1-5-8-14-9-12-6-7-13(18-12)20(16,17)15(3)11(2)10-19-4/h6-7,11,14H,5,8-10H2,1-4H3
InChIKeyTUAREXNDJKPQOP-UHFFFAOYSA-N
XLogP2.15
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-5-[[3-[methyl(propan-2-yl)amino]propylamino]methyl]furan-2-sulfonamide
CID 106040255
N-methyl-N-(1-methylsulfanylpropan-2-yl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 115988576
N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 115988696
N-(cyclobutylmethyl)-N-ethyl-5-(propylaminomethyl)furan-2-sulfonamide
CID 107402614
2-(ethylaminomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 115988643
5-[[5-(dimethylsulfamoyl)furan-2-yl]methylamino]pentanamide
CID 106233401
N-(2-bromoprop-2-enyl)-5-(propylaminomethyl)furan-2-sulfonamide
CID 113465229
N-ethyl-5-(ethylaminomethyl)-N-(2-methylbutyl)furan-2-sulfonamide
CID 79470714
5-(propylaminomethyl)-N-pyrimidin-5-ylfuran-2-sulfonamide
CID 106088778
N-(2-ethoxyethyl)-5-[(2-methoxyethylamino)methyl]-N-methylfuran-2-sulfonamide
CID 81063705
N-methyl-N-propan-2-yl-4-(propylaminomethyl)benzenesulfonamide
CID 54921908
N',N'-dimethyl-5-[(2-methylpropylamino)methyl]furan-2-sulfonohydrazide
CID 83025121

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)furan-2-sulfonamide?
The IUPAC name of N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)furan-2-sulfonamide (CID 115988547) is N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)furan-2-sulfonamide.
What is the SMILES notation for N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)furan-2-sulfonamide?
The canonical SMILES for N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)furan-2-sulfonamide is CCCNCc1ccc(S(=O)(=O)N(C)C(C)CSC)o1.
What is the InChIKey of N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)furan-2-sulfonamide?
The InChIKey is TUAREXNDJKPQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S2/c1-5-8-14-9-12-6-7-13(18-12)20(16,17)15(3)11(2)10-19-4/h6-7,11,14H,5,8-10H2,1-4H3.
What are the key properties of N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)furan-2-sulfonamide?
N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)furan-2-sulfonamide has a molecular weight of 320.48 g/mol, XLogP of 2.15, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)furan-2-sulfonamide is sourced from PubChem (CID 115988547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).