2-methyl-5-(propylaminomethyl)-N-(thiolan-3-yl)furan-3-sulfonamide

C13H22N2O3S2 — CID 106086445

IUPAC2-methyl-5-(propylaminomethyl)-N-(thiolan-3-yl)furan-3-sulfonamide
SMILESCCCNCc1cc(S(=O)(=O)NC2CCSC2)c(C)o1
InChIInChI=1S/C13H22N2O3S2/c1-3-5-14-8-12-7-13(10(2)18-12)20(16,17)15-11-4-6-19-9-11/h7,11,14-15H,3-6,8-9H2,1-2H3
InChIKeyFLOAHYNFODBOCS-UHFFFAOYSA-N
MW318.46 g/mol
LogP1.87
Rot. Bonds7

About 2-methyl-5-(propylaminomethyl)-N-(thiolan-3-yl)furan-3-sulfonamide

2-methyl-5-(propylaminomethyl)-N-(thiolan-3-yl)furan-3-sulfonamide (PubChem CID 106086445) has the molecular formula C13H22N2O3S2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 2-methyl-5-(propylaminomethyl)-N-(thiolan-3-yl)furan-3-sulfonamide.

Molecular Properties

Compound Name2-methyl-5-(propylaminomethyl)-N-(thiolan-3-yl)furan-3-sulfonamide
PubChem CID106086445
Molecular FormulaC13H22N2O3S2
Molecular Weight318.46 g/mol
Exact Mass318.11
IUPAC Name2-methyl-5-(propylaminomethyl)-N-(thiolan-3-yl)furan-3-sulfonamide
SMILESCCCNCc1cc(S(=O)(=O)NC2CCSC2)c(C)o1
InChIInChI=1S/C13H22N2O3S2/c1-3-5-14-8-12-7-13(10(2)18-12)20(16,17)15-11-4-6-19-9-11/h7,11,14-15H,3-6,8-9H2,1-2H3
InChIKeyFLOAHYNFODBOCS-UHFFFAOYSA-N
XLogP1.87
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 51.87
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-5-(propylaminomethyl)-N-(thian-3-yl)furan-3-sulfonamide
CID 106081609
2-bromo-4-(propylaminomethyl)-N-(thiolan-3-yl)benzenesulfonamide
CID 106086331
N-(cyclobutylmethyl)-2-methyl-5-(propylaminomethyl)furan-3-sulfonamide
CID 106025005
2-bromo-5-(propylaminomethyl)-N-(thian-3-yl)thiophene-3-sulfonamide
CID 106081454
2-bromo-5-(ethylaminomethyl)-N-(thian-4-yl)furan-3-sulfonamide
CID 106084419
N-(3,3-dimethylcyclopentyl)-5-(ethylaminomethyl)-2-methylfuran-3-sulfonamide
CID 114552223
2-methyl-5-(propylaminomethyl)-N-thiophen-3-ylfuran-3-sulfonamide
CID 106070165
4-[2-(propylamino)ethyl]-N-(thiolan-3-yl)benzenesulfonamide
CID 106086339
2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-5-(propylaminomethyl)furan-3-sulfonamide
CID 106061132
2-methyl-5-(methylaminomethyl)-N-(thian-4-ylmethyl)furan-3-sulfonamide
CID 106078516
4-methyl-2-(propylaminomethyl)-N-(thian-3-yl)thiophene-3-sulfonamide
CID 106081622
4-(ethylaminomethyl)-2-methoxy-N-(thiolan-3-yl)benzenesulfonamide
CID 106086377

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(propylaminomethyl)-N-(thiolan-3-yl)furan-3-sulfonamide?
The IUPAC name of 2-methyl-5-(propylaminomethyl)-N-(thiolan-3-yl)furan-3-sulfonamide (CID 106086445) is 2-methyl-5-(propylaminomethyl)-N-(thiolan-3-yl)furan-3-sulfonamide.
What is the SMILES notation for 2-methyl-5-(propylaminomethyl)-N-(thiolan-3-yl)furan-3-sulfonamide?
The canonical SMILES for 2-methyl-5-(propylaminomethyl)-N-(thiolan-3-yl)furan-3-sulfonamide is CCCNCc1cc(S(=O)(=O)NC2CCSC2)c(C)o1.
What is the InChIKey of 2-methyl-5-(propylaminomethyl)-N-(thiolan-3-yl)furan-3-sulfonamide?
The InChIKey is FLOAHYNFODBOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S2/c1-3-5-14-8-12-7-13(10(2)18-12)20(16,17)15-11-4-6-19-9-11/h7,11,14-15H,3-6,8-9H2,1-2H3.
What are the key properties of 2-methyl-5-(propylaminomethyl)-N-(thiolan-3-yl)furan-3-sulfonamide?
2-methyl-5-(propylaminomethyl)-N-(thiolan-3-yl)furan-3-sulfonamide has a molecular weight of 318.46 g/mol, XLogP of 1.87, 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-(thiolan-3-yl)furan-3-sulfonamide is sourced from PubChem (CID 106086445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).