5-(aminomethyl)-2-bromo-N-(1-methoxybutan-2-yl)furan-3-sulfonamide

C10H17BrN2O4S — CID 106068270

IUPAC5-(aminomethyl)-2-bromo-N-(1-methoxybutan-2-yl)furan-3-sulfonamide
SMILESCCC(COC)NS(=O)(=O)c1cc(CN)oc1Br
InChIInChI=1S/C10H17BrN2O4S/c1-3-7(6-16-2)13-18(14,15)9-4-8(5-12)17-10(9)11/h4,7,13H,3,5-6,12H2,1-2H3
InChIKeyRZKDDZBLIOIGAP-UHFFFAOYSA-N
MW341.23 g/mol
LogP1.20
Rot. Bonds7

About 5-(aminomethyl)-2-bromo-N-(1-methoxybutan-2-yl)furan-3-sulfonamide

5-(aminomethyl)-2-bromo-N-(1-methoxybutan-2-yl)furan-3-sulfonamide (PubChem CID 106068270) has the molecular formula C10H17BrN2O4S and a molecular weight of 341.23 g/mol. Its IUPAC name is 5-(aminomethyl)-2-bromo-N-(1-methoxybutan-2-yl)furan-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-bromo-N-(1-methoxybutan-2-yl)furan-3-sulfonamide
PubChem CID106068270
Molecular FormulaC10H17BrN2O4S
Molecular Weight341.23 g/mol
Exact Mass340.01
IUPAC Name5-(aminomethyl)-2-bromo-N-(1-methoxybutan-2-yl)furan-3-sulfonamide
SMILESCCC(COC)NS(=O)(=O)c1cc(CN)oc1Br
InChIInChI=1S/C10H17BrN2O4S/c1-3-7(6-16-2)13-18(14,15)9-4-8(5-12)17-10(9)11/h4,7,13H,3,5-6,12H2,1-2H3
InChIKeyRZKDDZBLIOIGAP-UHFFFAOYSA-N
XLogP1.20
TPSA94.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.23
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-2-bromo-N-hexan-3-ylfuran-3-sulfonamide
CID 106055358
5-(aminomethyl)-2-bromo-N-(1-phenylpropyl)furan-3-sulfonamide
CID 106055076
5-(hydroxymethyl)-N-(1-methoxybutan-2-yl)-2-methylfuran-3-sulfonamide
CID 114135110
5-(aminomethyl)-2-bromo-N-[1-(diethylamino)propan-2-yl]furan-3-sulfonamide
CID 106052222
3-amino-4-bromo-N-(1-methoxybutan-2-yl)benzenesulfonamide
CID 115329434
2-amino-4-cyano-N-(1-methoxybutan-2-yl)benzenesulfonamide
CID 64897655
5-(aminomethyl)-N-hexan-3-yl-2-methylfuran-3-sulfonamide
CID 106055327
5-(aminomethyl)-2-bromo-N',N'-dimethylfuran-3-sulfonohydrazide
CID 106074764
5-(aminomethyl)-2-methyl-N-(1-methylsulfanylbutan-2-yl)furan-3-sulfonamide
CID 106083828
2-bromo-N-hexan-3-yl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106055502
2-bromo-5-[(cyclopropylamino)methyl]-N-hexan-3-ylfuran-3-sulfonamide
CID 106055474
5-(aminomethyl)-2-bromo-N-(5-chloro-2-methoxyphenyl)furan-3-sulfonamide
CID 106059610

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-bromo-N-(1-methoxybutan-2-yl)furan-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-2-bromo-N-(1-methoxybutan-2-yl)furan-3-sulfonamide (CID 106068270) is 5-(aminomethyl)-2-bromo-N-(1-methoxybutan-2-yl)furan-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-bromo-N-(1-methoxybutan-2-yl)furan-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-bromo-N-(1-methoxybutan-2-yl)furan-3-sulfonamide is CCC(COC)NS(=O)(=O)c1cc(CN)oc1Br.
What is the InChIKey of 5-(aminomethyl)-2-bromo-N-(1-methoxybutan-2-yl)furan-3-sulfonamide?
The InChIKey is RZKDDZBLIOIGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN2O4S/c1-3-7(6-16-2)13-18(14,15)9-4-8(5-12)17-10(9)11/h4,7,13H,3,5-6,12H2,1-2H3.
What are the key properties of 5-(aminomethyl)-2-bromo-N-(1-methoxybutan-2-yl)furan-3-sulfonamide?
5-(aminomethyl)-2-bromo-N-(1-methoxybutan-2-yl)furan-3-sulfonamide has a molecular weight of 341.23 g/mol, XLogP of 1.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-bromo-N-(1-methoxybutan-2-yl)furan-3-sulfonamide is sourced from PubChem (CID 106068270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).