5-(aminomethyl)-2-bromo-N',N'-dimethylfuran-3-sulfonohydrazide

C7H12BrN3O3S — CID 106074764

IUPAC5-(aminomethyl)-2-bromo-N',N'-dimethylfuran-3-sulfonohydrazide
SMILESCN(C)NS(=O)(=O)c1cc(CN)oc1Br
InChIInChI=1S/C7H12BrN3O3S/c1-11(2)10-15(12,13)6-3-5(4-9)14-7(6)8/h3,10H,4,9H2,1-2H3
InChIKeyZRSGEGIQDBVUJN-UHFFFAOYSA-N
MW298.16 g/mol
LogP0.26
Rot. Bonds4

About 5-(aminomethyl)-2-bromo-N',N'-dimethylfuran-3-sulfonohydrazide

5-(aminomethyl)-2-bromo-N',N'-dimethylfuran-3-sulfonohydrazide (PubChem CID 106074764) has the molecular formula C7H12BrN3O3S and a molecular weight of 298.16 g/mol. Its IUPAC name is 5-(aminomethyl)-2-bromo-N',N'-dimethylfuran-3-sulfonohydrazide.

Molecular Properties

Compound Name5-(aminomethyl)-2-bromo-N',N'-dimethylfuran-3-sulfonohydrazide
PubChem CID106074764
Molecular FormulaC7H12BrN3O3S
Molecular Weight298.16 g/mol
Exact Mass296.98
IUPAC Name5-(aminomethyl)-2-bromo-N',N'-dimethylfuran-3-sulfonohydrazide
SMILESCN(C)NS(=O)(=O)c1cc(CN)oc1Br
InChIInChI=1S/C7H12BrN3O3S/c1-11(2)10-15(12,13)6-3-5(4-9)14-7(6)8/h3,10H,4,9H2,1-2H3
InChIKeyZRSGEGIQDBVUJN-UHFFFAOYSA-N
XLogP0.26
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.16
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(aminomethyl)-2-bromo-N-[2-(dimethylamino)ethyl]furan-3-sulfonamide
CID 114138879
5-(aminomethyl)-2-bromo-N-[2-(dimethylamino)phenyl]furan-3-sulfonamide
CID 106005665
5-(aminomethyl)-2-bromo-N-(2-cyclopropylpropan-2-yl)furan-3-sulfonamide
CID 106091146
5-(aminomethyl)-2-bromo-N-[1-(diethylamino)propan-2-yl]furan-3-sulfonamide
CID 106052222
5-(aminomethyl)-2-bromo-N-(2,6-dichloro-4-fluorophenyl)furan-3-sulfonamide
CID 106075609
5-(aminomethyl)-2-bromo-N-hexan-3-ylfuran-3-sulfonamide
CID 106055358
5-(aminomethyl)-2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)furan-3-sulfonamide
CID 106089758
5-(aminomethyl)-2-bromo-N-(3-bromo-2-pyridinyl)furan-3-sulfonamide
CID 106062158
5-(aminomethyl)-2-bromo-N-(2-methyloxolan-3-yl)furan-3-sulfonamide
CID 106076206
5-(aminomethyl)-2-bromo-N-(1-phenylpropyl)furan-3-sulfonamide
CID 106055076
5-(aminomethyl)-2-bromo-N-(1-methoxybutan-2-yl)furan-3-sulfonamide
CID 106068270
5-(aminomethyl)-2-bromo-N-(2-ethylcyclohexyl)furan-3-sulfonamide
CID 106002889

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-bromo-N',N'-dimethylfuran-3-sulfonohydrazide?
The IUPAC name of 5-(aminomethyl)-2-bromo-N',N'-dimethylfuran-3-sulfonohydrazide (CID 106074764) is 5-(aminomethyl)-2-bromo-N',N'-dimethylfuran-3-sulfonohydrazide.
What is the SMILES notation for 5-(aminomethyl)-2-bromo-N',N'-dimethylfuran-3-sulfonohydrazide?
The canonical SMILES for 5-(aminomethyl)-2-bromo-N',N'-dimethylfuran-3-sulfonohydrazide is CN(C)NS(=O)(=O)c1cc(CN)oc1Br.
What is the InChIKey of 5-(aminomethyl)-2-bromo-N',N'-dimethylfuran-3-sulfonohydrazide?
The InChIKey is ZRSGEGIQDBVUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12BrN3O3S/c1-11(2)10-15(12,13)6-3-5(4-9)14-7(6)8/h3,10H,4,9H2,1-2H3.
What are the key properties of 5-(aminomethyl)-2-bromo-N',N'-dimethylfuran-3-sulfonohydrazide?
5-(aminomethyl)-2-bromo-N',N'-dimethylfuran-3-sulfonohydrazide has a molecular weight of 298.16 g/mol, XLogP of 0.26, 4 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',N'-dimethylfuran-3-sulfonohydrazide is sourced from PubChem (CID 106074764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).