5-(aminomethyl)-2-bromo-N-(2-thiomorpholin-4-ylethyl)furan-3-sulfonamide

C11H18BrN3O3S2 — CID 106327441

IUPAC5-(aminomethyl)-2-bromo-N-(2-thiomorpholin-4-ylethyl)furan-3-sulfonamide
SMILESNCc1cc(S(=O)(=O)NCCN2CCSCC2)c(Br)o1
InChIInChI=1S/C11H18BrN3O3S2/c12-11-10(7-9(8-13)18-11)20(16,17)14-1-2-15-3-5-19-6-4-15/h7,14H,1-6,8,13H2
InChIKeyQXMVHCRCLLBVPM-UHFFFAOYSA-N
MW384.32 g/mol
LogP0.83
Rot. Bonds6

About 5-(aminomethyl)-2-bromo-N-(2-thiomorpholin-4-ylethyl)furan-3-sulfonamide

5-(aminomethyl)-2-bromo-N-(2-thiomorpholin-4-ylethyl)furan-3-sulfonamide (PubChem CID 106327441) has the molecular formula C11H18BrN3O3S2 and a molecular weight of 384.32 g/mol. Its IUPAC name is 5-(aminomethyl)-2-bromo-N-(2-thiomorpholin-4-ylethyl)furan-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-bromo-N-(2-thiomorpholin-4-ylethyl)furan-3-sulfonamide
PubChem CID106327441
Molecular FormulaC11H18BrN3O3S2
Molecular Weight384.32 g/mol
Exact Mass383.00
IUPAC Name5-(aminomethyl)-2-bromo-N-(2-thiomorpholin-4-ylethyl)furan-3-sulfonamide
SMILESNCc1cc(S(=O)(=O)NCCN2CCSCC2)c(Br)o1
InChIInChI=1S/C11H18BrN3O3S2/c12-11-10(7-9(8-13)18-11)20(16,17)14-1-2-15-3-5-19-6-4-15/h7,14H,1-6,8,13H2
InChIKeyQXMVHCRCLLBVPM-UHFFFAOYSA-N
XLogP0.83
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.32
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(aminomethyl)-2-methyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide
CID 106327381
3-amino-4-bromo-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide
CID 106324544
5-(aminomethyl)-2-methyl-N-(2-piperidin-1-ylethyl)furan-3-sulfonamide
CID 106049664
3-(aminomethyl)-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide
CID 106327412
5-(aminomethyl)-2-bromo-N-[2-(dimethylamino)ethyl]furan-3-sulfonamide
CID 114138879
3-(aminomethyl)-2-methyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide
CID 106327376
2-methyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide
CID 113248054
4-hydrazinyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide
CID 106325962
2-bromo-4,6-difluoro-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide
CID 106326852
2-amino-6-fluoro-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide
CID 106324656
5-(aminomethyl)-2-bromo-N',N'-dimethylfuran-3-sulfonohydrazide
CID 106074764
5-(aminomethyl)-2-bromo-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)furan-3-sulfonamide
CID 106053348

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-bromo-N-(2-thiomorpholin-4-ylethyl)furan-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-2-bromo-N-(2-thiomorpholin-4-ylethyl)furan-3-sulfonamide (CID 106327441) is 5-(aminomethyl)-2-bromo-N-(2-thiomorpholin-4-ylethyl)furan-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-bromo-N-(2-thiomorpholin-4-ylethyl)furan-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-bromo-N-(2-thiomorpholin-4-ylethyl)furan-3-sulfonamide is NCc1cc(S(=O)(=O)NCCN2CCSCC2)c(Br)o1.
What is the InChIKey of 5-(aminomethyl)-2-bromo-N-(2-thiomorpholin-4-ylethyl)furan-3-sulfonamide?
The InChIKey is QXMVHCRCLLBVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3O3S2/c12-11-10(7-9(8-13)18-11)20(16,17)14-1-2-15-3-5-19-6-4-15/h7,14H,1-6,8,13H2.
What are the key properties of 5-(aminomethyl)-2-bromo-N-(2-thiomorpholin-4-ylethyl)furan-3-sulfonamide?
5-(aminomethyl)-2-bromo-N-(2-thiomorpholin-4-ylethyl)furan-3-sulfonamide has a molecular weight of 384.32 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-bromo-N-(2-thiomorpholin-4-ylethyl)furan-3-sulfonamide is sourced from PubChem (CID 106327441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).