N-(1-bromobutan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide

C8H13BrN2O2S2 — CID 103416070

IUPACN-(1-bromobutan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide
SMILESCCC(CBr)NS(=O)(=O)c1cnc(C)s1
InChIInChI=1S/C8H13BrN2O2S2/c1-3-7(4-9)11-15(12,13)8-5-10-6(2)14-8/h5,7,11H,3-4H2,1-2H3
InChIKeyXPJUPYIECJCGQV-UHFFFAOYSA-N
MW313.24 g/mol
LogP1.90
Rot. Bonds5

About N-(1-bromobutan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide

N-(1-bromobutan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 103416070) has the molecular formula C8H13BrN2O2S2 and a molecular weight of 313.24 g/mol. Its IUPAC name is N-(1-bromobutan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(1-bromobutan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide
PubChem CID103416070
Molecular FormulaC8H13BrN2O2S2
Molecular Weight313.24 g/mol
Exact Mass311.96
IUPAC NameN-(1-bromobutan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide
SMILESCCC(CBr)NS(=O)(=O)c1cnc(C)s1
InChIInChI=1S/C8H13BrN2O2S2/c1-3-7(4-9)11-15(12,13)8-5-10-6(2)14-8/h5,7,11H,3-4H2,1-2H3
InChIKeyXPJUPYIECJCGQV-UHFFFAOYSA-N
XLogP1.90
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(1-bromopentan-3-yl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103416148
N-(1-bromopropan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103416028
N-(1-cyanobutan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 104694078
N'-hydroxy-3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]pentanimidamide
CID 103415690
N-(4-bromo-1-methoxybutan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 106158450
N-(1-bromobutan-2-yl)-5-methylthiophene-2-sulfonamide
CID 114298402
N-(2-bromo-3-ethylpentyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 114168907
N-(2-hydroxybutyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103414895
N-(2-bromopropyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103416040
N-(3-hydroxypentyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103847995
N-(2-bromo-3-methylbutyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103416146
4-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]pentanoic acid
CID 104936317

Frequently Asked Questions

What is the IUPAC name of N-(1-bromobutan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(1-bromobutan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide (CID 103416070) is N-(1-bromobutan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(1-bromobutan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(1-bromobutan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide is CCC(CBr)NS(=O)(=O)c1cnc(C)s1.
What is the InChIKey of N-(1-bromobutan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is XPJUPYIECJCGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrN2O2S2/c1-3-7(4-9)11-15(12,13)8-5-10-6(2)14-8/h5,7,11H,3-4H2,1-2H3.
What are the key properties of N-(1-bromobutan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide?
N-(1-bromobutan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 313.24 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromobutan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 103416070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).