2-bromo-5-(ethylaminomethyl)-N-(2-methylsulfanylethyl)furan-3-sulfonamide

C10H17BrN2O3S2 — CID 114141319

IUPAC2-bromo-5-(ethylaminomethyl)-N-(2-methylsulfanylethyl)furan-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)NCCSC)c(Br)o1
InChIInChI=1S/C10H17BrN2O3S2/c1-3-12-7-8-6-9(10(11)16-8)18(14,15)13-4-5-17-2/h6,12-13H,3-5,7H2,1-2H3
InChIKeySPHYQQLBXZHZNA-UHFFFAOYSA-N
MW357.30 g/mol
LogP1.79
Rot. Bonds8

About 2-bromo-5-(ethylaminomethyl)-N-(2-methylsulfanylethyl)furan-3-sulfonamide

2-bromo-5-(ethylaminomethyl)-N-(2-methylsulfanylethyl)furan-3-sulfonamide (PubChem CID 114141319) has the molecular formula C10H17BrN2O3S2 and a molecular weight of 357.30 g/mol. Its IUPAC name is 2-bromo-5-(ethylaminomethyl)-N-(2-methylsulfanylethyl)furan-3-sulfonamide.

Molecular Properties

Compound Name2-bromo-5-(ethylaminomethyl)-N-(2-methylsulfanylethyl)furan-3-sulfonamide
PubChem CID114141319
Molecular FormulaC10H17BrN2O3S2
Molecular Weight357.30 g/mol
Exact Mass355.99
IUPAC Name2-bromo-5-(ethylaminomethyl)-N-(2-methylsulfanylethyl)furan-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)NCCSC)c(Br)o1
InChIInChI=1S/C10H17BrN2O3S2/c1-3-12-7-8-6-9(10(11)16-8)18(14,15)13-4-5-17-2/h6,12-13H,3-5,7H2,1-2H3
InChIKeySPHYQQLBXZHZNA-UHFFFAOYSA-N
XLogP1.79
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.30
LogP ≤ 51.79
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-bromo-N-(3-methylsulfanylpropyl)-5-(propylaminomethyl)furan-3-sulfonamide
CID 106066222
2-bromo-N-(2-methylsulfanylethyl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106063842
2-bromo-5-(ethylaminomethyl)-N-[2-(2-methoxyethoxy)ethyl]furan-3-sulfonamide
CID 106051221
2-bromo-N-(2-butoxyethyl)-5-(ethylaminomethyl)furan-3-sulfonamide
CID 106017578
2-bromo-5-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)furan-3-sulfonamide
CID 106079980
2-bromo-5-(ethylaminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)furan-3-sulfonamide
CID 106013304
2-bromo-N-(1,4-dithian-2-ylmethyl)-5-(ethylaminomethyl)furan-3-sulfonamide
CID 106078422
2-bromo-N-(1,4-dioxan-2-ylmethyl)-5-(ethylaminomethyl)furan-3-sulfonamide
CID 106016690
5-(ethylaminomethyl)-2-methyl-N-(3-methylbutyl)furan-3-sulfonamide
CID 106059106
2-bromo-5-(ethylaminomethyl)-N-(3-iodophenyl)furan-3-sulfonamide
CID 106029405
5-(ethylaminomethyl)-2-methyl-N-(4-methylsulfanylbutan-2-yl)furan-3-sulfonamide
CID 106080199
2-bromo-5-(ethylaminomethyl)-N-(thian-4-yl)furan-3-sulfonamide
CID 106084419

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(ethylaminomethyl)-N-(2-methylsulfanylethyl)furan-3-sulfonamide?
The IUPAC name of 2-bromo-5-(ethylaminomethyl)-N-(2-methylsulfanylethyl)furan-3-sulfonamide (CID 114141319) is 2-bromo-5-(ethylaminomethyl)-N-(2-methylsulfanylethyl)furan-3-sulfonamide.
What is the SMILES notation for 2-bromo-5-(ethylaminomethyl)-N-(2-methylsulfanylethyl)furan-3-sulfonamide?
The canonical SMILES for 2-bromo-5-(ethylaminomethyl)-N-(2-methylsulfanylethyl)furan-3-sulfonamide is CCNCc1cc(S(=O)(=O)NCCSC)c(Br)o1.
What is the InChIKey of 2-bromo-5-(ethylaminomethyl)-N-(2-methylsulfanylethyl)furan-3-sulfonamide?
The InChIKey is SPHYQQLBXZHZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN2O3S2/c1-3-12-7-8-6-9(10(11)16-8)18(14,15)13-4-5-17-2/h6,12-13H,3-5,7H2,1-2H3.
What are the key properties of 2-bromo-5-(ethylaminomethyl)-N-(2-methylsulfanylethyl)furan-3-sulfonamide?
2-bromo-5-(ethylaminomethyl)-N-(2-methylsulfanylethyl)furan-3-sulfonamide has a molecular weight of 357.30 g/mol, XLogP of 1.79, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(ethylaminomethyl)-N-(2-methylsulfanylethyl)furan-3-sulfonamide is sourced from PubChem (CID 114141319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).