N-(2-bromoethyl)-N-cyclopentyl-2-methyl-1,3-thiazole-5-sulfonamide

C11H17BrN2O2S2 — CID 103415990

IUPACN-(2-bromoethyl)-N-cyclopentyl-2-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)N(CCBr)C2CCCC2)s1
InChIInChI=1S/C11H17BrN2O2S2/c1-9-13-8-11(17-9)18(15,16)14(7-6-12)10-4-2-3-5-10/h8,10H,2-7H2,1H3
InChIKeyCFHWAQQIZCVGCM-UHFFFAOYSA-N
MW353.31 g/mol
LogP2.78
Rot. Bonds5

About N-(2-bromoethyl)-N-cyclopentyl-2-methyl-1,3-thiazole-5-sulfonamide

N-(2-bromoethyl)-N-cyclopentyl-2-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 103415990) has the molecular formula C11H17BrN2O2S2 and a molecular weight of 353.31 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclopentyl-2-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclopentyl-2-methyl-1,3-thiazole-5-sulfonamide
PubChem CID103415990
Molecular FormulaC11H17BrN2O2S2
Molecular Weight353.31 g/mol
Exact Mass351.99
IUPAC NameN-(2-bromoethyl)-N-cyclopentyl-2-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)N(CCBr)C2CCCC2)s1
InChIInChI=1S/C11H17BrN2O2S2/c1-9-13-8-11(17-9)18(15,16)14(7-6-12)10-4-2-3-5-10/h8,10H,2-7H2,1H3
InChIKeyCFHWAQQIZCVGCM-UHFFFAOYSA-N
XLogP2.78
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.31
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-N-(2-hydroxyethyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103414836
2-methyl-N-piperidin-4-yl-N-propyl-1,3-thiazole-5-sulfonamide
CID 103951467
N-(azetidin-3-yl)-2-methyl-N-propyl-1,3-thiazole-5-sulfonamide
CID 103415221
N-(2-bromoethyl)-N-cyclopentyl-1-ethyl-2-methylimidazole-4-sulfonamide
CID 80669052
N-(2-bromoethyl)-N-cyclopentyl-3-fluoropyridine-2-sulfonamide
CID 103308267
N-(2-bromoethyl)-N-cyclobutylmethanesulfonamide
CID 102873497
3-bromo-N-(2-bromoethyl)-N-cyclohexylthiophene-2-sulfonamide
CID 80669651
N-(2-bromoethyl)-N-cyclobutyl-4-fluoro-2-methylbenzenesulfonamide
CID 102873544
N-(2-bromoethyl)-N-cyclopentyl-5-methylpyrimidin-2-amine
CID 80669094
N-(2-bromoethyl)-N-cyclobutyl-4-propylbenzenesulfonamide
CID 102873568
N-(2-bromocycloheptyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103416113
N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethyl-1,3-thiazole-5-sulfonamide
CID 103871344

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-cyclopentyl-2-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(2-bromoethyl)-N-cyclopentyl-2-methyl-1,3-thiazole-5-sulfonamide (CID 103415990) is N-(2-bromoethyl)-N-cyclopentyl-2-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclopentyl-2-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(2-bromoethyl)-N-cyclopentyl-2-methyl-1,3-thiazole-5-sulfonamide is Cc1ncc(S(=O)(=O)N(CCBr)C2CCCC2)s1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclopentyl-2-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is CFHWAQQIZCVGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O2S2/c1-9-13-8-11(17-9)18(15,16)14(7-6-12)10-4-2-3-5-10/h8,10H,2-7H2,1H3.
What are the key properties of N-(2-bromoethyl)-N-cyclopentyl-2-methyl-1,3-thiazole-5-sulfonamide?
N-(2-bromoethyl)-N-cyclopentyl-2-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 353.31 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-cyclopentyl-2-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 103415990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).