N-(4-bromo-1-methoxybutan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide

C9H15BrN2O3S2 — CID 106158450

IUPACN-(4-bromo-1-methoxybutan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide
SMILESCOCC(CCBr)NS(=O)(=O)c1cnc(C)s1
InChIInChI=1S/C9H15BrN2O3S2/c1-7-11-5-9(16-7)17(13,14)12-8(3-4-10)6-15-2/h5,8,12H,3-4,6H2,1-2H3
InChIKeyWWJPNDXOPKZYMJ-UHFFFAOYSA-N
MW343.27 g/mol
LogP1.53
Rot. Bonds7

About N-(4-bromo-1-methoxybutan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide

N-(4-bromo-1-methoxybutan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 106158450) has the molecular formula C9H15BrN2O3S2 and a molecular weight of 343.27 g/mol. Its IUPAC name is N-(4-bromo-1-methoxybutan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-1-methoxybutan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide
PubChem CID106158450
Molecular FormulaC9H15BrN2O3S2
Molecular Weight343.27 g/mol
Exact Mass341.97
IUPAC NameN-(4-bromo-1-methoxybutan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide
SMILESCOCC(CCBr)NS(=O)(=O)c1cnc(C)s1
InChIInChI=1S/C9H15BrN2O3S2/c1-7-11-5-9(16-7)17(13,14)12-8(3-4-10)6-15-2/h5,8,12H,3-4,6H2,1-2H3
InChIKeyWWJPNDXOPKZYMJ-UHFFFAOYSA-N
XLogP1.53
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(4-bromo-1-methoxybutan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-bromopentan-3-yl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103416148
N-(1-bromobutan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103416070
N-(1-bromopropan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103416028
N-(4-bromo-1-methoxybutan-2-yl)-1H-imidazole-5-sulfonamide
CID 106158527
N-(1-cyanobutan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 104694078
N-(4-bromo-1-methoxybutan-2-yl)-3,4-dichlorobenzenesulfonamide
CID 114151678
N-(4-bromo-1-methoxybutan-2-yl)-3-methylbenzenesulfonamide
CID 106158483
N-(2,2-dimethoxyethyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103414719
4-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]pentanoic acid
CID 104936317
N-(2-bromopropyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103416040
N'-hydroxy-3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]pentanimidamide
CID 103415690
N-(4-bromo-1-methoxybutan-2-yl)-2,5-difluorobenzenesulfonamide
CID 114151665

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-1-methoxybutan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(4-bromo-1-methoxybutan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide (CID 106158450) is N-(4-bromo-1-methoxybutan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(4-bromo-1-methoxybutan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(4-bromo-1-methoxybutan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide is COCC(CCBr)NS(=O)(=O)c1cnc(C)s1.
What is the InChIKey of N-(4-bromo-1-methoxybutan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is WWJPNDXOPKZYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN2O3S2/c1-7-11-5-9(16-7)17(13,14)12-8(3-4-10)6-15-2/h5,8,12H,3-4,6H2,1-2H3.
What are the key properties of N-(4-bromo-1-methoxybutan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide?
N-(4-bromo-1-methoxybutan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 343.27 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-1-methoxybutan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 106158450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).