5-(aminomethyl)-2-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]thiophene-3-sulfonamide

C11H14BrN3O3S2 — CID 106378250

IUPAC5-(aminomethyl)-2-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]thiophene-3-sulfonamide
SMILESCc1nc(CNS(=O)(=O)c2cc(CN)sc2Br)oc1C
InChIInChI=1S/C11H14BrN3O3S2/c1-6-7(2)18-10(15-6)5-14-20(16,17)9-3-8(4-13)19-11(9)12/h3,14H,4-5,13H2,1-2H3
InChIKeyAOOALROWIXORTN-UHFFFAOYSA-N
MW380.29 g/mol
LogP2.05
Rot. Bonds5

About 5-(aminomethyl)-2-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]thiophene-3-sulfonamide

5-(aminomethyl)-2-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]thiophene-3-sulfonamide (PubChem CID 106378250) has the molecular formula C11H14BrN3O3S2 and a molecular weight of 380.29 g/mol. Its IUPAC name is 5-(aminomethyl)-2-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]thiophene-3-sulfonamide
PubChem CID106378250
Molecular FormulaC11H14BrN3O3S2
Molecular Weight380.29 g/mol
Exact Mass378.97
IUPAC Name5-(aminomethyl)-2-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]thiophene-3-sulfonamide
SMILESCc1nc(CNS(=O)(=O)c2cc(CN)sc2Br)oc1C
InChIInChI=1S/C11H14BrN3O3S2/c1-6-7(2)18-10(15-6)5-14-20(16,17)9-3-8(4-13)19-11(9)12/h3,14H,4-5,13H2,1-2H3
InChIKeyAOOALROWIXORTN-UHFFFAOYSA-N
XLogP2.05
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.29
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(aminomethyl)-2-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]thiophene-3-sulfonamide with MolForge

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Related Compounds

5-(aminomethyl)-2-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106378308
5-(aminomethyl)-2-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]thiophene-3-sulfonamide
CID 106377999
4-(aminomethyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]thiophene-2-sulfonamide
CID 106378242
5-(aminomethyl)-2-bromo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-3-sulfonamide
CID 106069840
5-(aminomethyl)-2-bromo-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-3-sulfonamide
CID 106015627
3-amino-2-bromo-5-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106369284
4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylbenzenesulfonamide
CID 106369295
5-(aminomethyl)-2-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-3-sulfonamide
CID 106410879
2-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(hydroxymethyl)benzenesulfonamide
CID 106377965
5-(aminomethyl)-2-bromo-N-[2-(dimethylamino)ethyl]thiophene-3-sulfonamide
CID 114138920
2-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluorobenzenesulfonamide
CID 106369275
2-(aminomethyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylthiophene-3-sulfonamide
CID 106378238

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]thiophene-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-2-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]thiophene-3-sulfonamide (CID 106378250) is 5-(aminomethyl)-2-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]thiophene-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]thiophene-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]thiophene-3-sulfonamide is Cc1nc(CNS(=O)(=O)c2cc(CN)sc2Br)oc1C.
What is the InChIKey of 5-(aminomethyl)-2-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]thiophene-3-sulfonamide?
The InChIKey is AOOALROWIXORTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O3S2/c1-6-7(2)18-10(15-6)5-14-20(16,17)9-3-8(4-13)19-11(9)12/h3,14H,4-5,13H2,1-2H3.
What are the key properties of 5-(aminomethyl)-2-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]thiophene-3-sulfonamide?
5-(aminomethyl)-2-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]thiophene-3-sulfonamide has a molecular weight of 380.29 g/mol, XLogP of 2.05, 5 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-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]thiophene-3-sulfonamide is sourced from PubChem (CID 106378250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).