5-(4-bromo-3-methylpiperidin-1-yl)sulfonyl-2-methyl-1,3-thiazole

C10H15BrN2O2S2 — CID 103416177

IUPAC5-(4-bromo-3-methylpiperidin-1-yl)sulfonyl-2-methyl-1,3-thiazole
SMILESCc1ncc(S(=O)(=O)N2CCC(Br)C(C)C2)s1
InChIInChI=1S/C10H15BrN2O2S2/c1-7-6-13(4-3-9(7)11)17(14,15)10-5-12-8(2)16-10/h5,7,9H,3-4,6H2,1-2H3
InChIKeyRUUNUPQBFDDTFN-UHFFFAOYSA-N
MW339.28 g/mol
LogP2.25
Rot. Bonds2

About 5-(4-bromo-3-methylpiperidin-1-yl)sulfonyl-2-methyl-1,3-thiazole

5-(4-bromo-3-methylpiperidin-1-yl)sulfonyl-2-methyl-1,3-thiazole (PubChem CID 103416177) has the molecular formula C10H15BrN2O2S2 and a molecular weight of 339.28 g/mol. Its IUPAC name is 5-(4-bromo-3-methylpiperidin-1-yl)sulfonyl-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-(4-bromo-3-methylpiperidin-1-yl)sulfonyl-2-methyl-1,3-thiazole
PubChem CID103416177
Molecular FormulaC10H15BrN2O2S2
Molecular Weight339.28 g/mol
Exact Mass337.98
IUPAC Name5-(4-bromo-3-methylpiperidin-1-yl)sulfonyl-2-methyl-1,3-thiazole
SMILESCc1ncc(S(=O)(=O)N2CCC(Br)C(C)C2)s1
InChIInChI=1S/C10H15BrN2O2S2/c1-7-6-13(4-3-9(7)11)17(14,15)10-5-12-8(2)16-10/h5,7,9H,3-4,6H2,1-2H3
InChIKeyRUUNUPQBFDDTFN-UHFFFAOYSA-N
XLogP2.25
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 52.25
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

2-Chloro-5-[3-(trifluoromethyl)piperidin-1-yl]sulfonyl-1,3-thiazole
CID 61052046
5-Piperidin-1-ylsulfonyl-1,3-thiazole
CID 91052193
2-Bromo-5-piperidin-1-ylsulfonyl-1,3-thiazole
CID 118230762
2-(1-Methylpiperidin-3-yl)-1,3-thiazole-5-sulfonyl chloride
CID 177318955
2-Chloro-5-(3-methylpiperidin-1-yl)sulfonyl-1,3-thiazole
CID 43427515
2-Chloro-5-(4-methylpiperidin-1-yl)sulfonyl-1,3-thiazole
CID 43455764
2-Chloro-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-1,3-thiazole
CID 43455811
2-Chloro-5-(3-ethylpiperidin-1-yl)sulfonyl-1,3-thiazole
CID 43584512
1-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]-N,N-dimethylmethanamine
CID 61044835
2-Chloro-5-(4-ethylpiperidin-1-yl)sulfonyl-1,3-thiazole
CID 61045004
N-[[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]methyl]-N-ethylethanamine
CID 61045201
5-(4-Tert-butylpiperidin-1-yl)sulfonyl-2-chloro-1,3-thiazole
CID 62083644

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-3-methylpiperidin-1-yl)sulfonyl-2-methyl-1,3-thiazole?
The IUPAC name of 5-(4-bromo-3-methylpiperidin-1-yl)sulfonyl-2-methyl-1,3-thiazole (CID 103416177) is 5-(4-bromo-3-methylpiperidin-1-yl)sulfonyl-2-methyl-1,3-thiazole.
What is the SMILES notation for 5-(4-bromo-3-methylpiperidin-1-yl)sulfonyl-2-methyl-1,3-thiazole?
The canonical SMILES for 5-(4-bromo-3-methylpiperidin-1-yl)sulfonyl-2-methyl-1,3-thiazole is Cc1ncc(S(=O)(=O)N2CCC(Br)C(C)C2)s1.
What is the InChIKey of 5-(4-bromo-3-methylpiperidin-1-yl)sulfonyl-2-methyl-1,3-thiazole?
The InChIKey is RUUNUPQBFDDTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2S2/c1-7-6-13(4-3-9(7)11)17(14,15)10-5-12-8(2)16-10/h5,7,9H,3-4,6H2,1-2H3.
What are the key properties of 5-(4-bromo-3-methylpiperidin-1-yl)sulfonyl-2-methyl-1,3-thiazole?
5-(4-bromo-3-methylpiperidin-1-yl)sulfonyl-2-methyl-1,3-thiazole has a molecular weight of 339.28 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-3-methylpiperidin-1-yl)sulfonyl-2-methyl-1,3-thiazole is sourced from PubChem (CID 103416177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).