N-(5-bromo-1,3-thiazol-2-yl)-1-piperidin-2-ylmethanesulfonamide

C9H14BrN3O2S2 — CID 54974227

IUPACN-(5-bromo-1,3-thiazol-2-yl)-1-piperidin-2-ylmethanesulfonamide
SMILESO=S(=O)(CC1CCCCN1)Nc1ncc(Br)s1
InChIInChI=1S/C9H14BrN3O2S2/c10-8-5-12-9(16-8)13-17(14,15)6-7-3-1-2-4-11-7/h5,7,11H,1-4,6H2,(H,12,13)
InChIKeyVORYODVMKAMGLU-UHFFFAOYSA-N
MW340.27 g/mol
LogP1.79
Rot. Bonds4

About N-(5-bromo-1,3-thiazol-2-yl)-1-piperidin-2-ylmethanesulfonamide

N-(5-bromo-1,3-thiazol-2-yl)-1-piperidin-2-ylmethanesulfonamide (PubChem CID 54974227) has the molecular formula C9H14BrN3O2S2 and a molecular weight of 340.27 g/mol. Its IUPAC name is N-(5-bromo-1,3-thiazol-2-yl)-1-piperidin-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-1,3-thiazol-2-yl)-1-piperidin-2-ylmethanesulfonamide
PubChem CID54974227
Molecular FormulaC9H14BrN3O2S2
Molecular Weight340.27 g/mol
Exact Mass338.97
IUPAC NameN-(5-bromo-1,3-thiazol-2-yl)-1-piperidin-2-ylmethanesulfonamide
SMILESO=S(=O)(CC1CCCCN1)Nc1ncc(Br)s1
InChIInChI=1S/C9H14BrN3O2S2/c10-8-5-12-9(16-8)13-17(14,15)6-7-3-1-2-4-11-7/h5,7,11H,1-4,6H2,(H,12,13)
InChIKeyVORYODVMKAMGLU-UHFFFAOYSA-N
XLogP1.79
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.27
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromo-3,5-dimethylphenyl)-1-piperidin-2-ylmethanesulfonamide
CID 107575648
N-phenyl-1-piperidin-2-ylmethanesulfonamide
CID 54974221
N-(1,3-benzothiazol-6-yl)-1-piperidin-2-ylmethanesulfonamide
CID 107806362
N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 54972563
N-(2-hydroxyphenyl)-1-piperidin-2-ylmethanesulfonamide
CID 115071292
N-(5-bromo-1,3-thiazol-2-yl)-2-methylsulfonylethanesulfonamide
CID 55219468
1-piperidin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide
CID 64531785
N-(1-methylpyrazol-3-yl)-1-piperidin-2-ylmethanesulfonamide
CID 54974228
N-(6-methyl-2-pyridinyl)-1-piperidin-2-ylmethanesulfonamide
CID 54973719
N-(3-methyl-1,2-oxazol-5-yl)-1-piperidin-2-ylmethanesulfonamide
CID 54973614
N-(2-chloro-4-iodophenyl)-1-piperidin-2-ylmethanesulfonamide
CID 107605719
N-(3-ethyl-1-methylpyrazol-4-yl)-1-piperidin-2-ylmethanesulfonamide
CID 107463809

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-1-piperidin-2-ylmethanesulfonamide?
The IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-1-piperidin-2-ylmethanesulfonamide (CID 54974227) is N-(5-bromo-1,3-thiazol-2-yl)-1-piperidin-2-ylmethanesulfonamide.
What is the SMILES notation for N-(5-bromo-1,3-thiazol-2-yl)-1-piperidin-2-ylmethanesulfonamide?
The canonical SMILES for N-(5-bromo-1,3-thiazol-2-yl)-1-piperidin-2-ylmethanesulfonamide is O=S(=O)(CC1CCCCN1)Nc1ncc(Br)s1.
What is the InChIKey of N-(5-bromo-1,3-thiazol-2-yl)-1-piperidin-2-ylmethanesulfonamide?
The InChIKey is VORYODVMKAMGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O2S2/c10-8-5-12-9(16-8)13-17(14,15)6-7-3-1-2-4-11-7/h5,7,11H,1-4,6H2,(H,12,13).
What are the key properties of N-(5-bromo-1,3-thiazol-2-yl)-1-piperidin-2-ylmethanesulfonamide?
N-(5-bromo-1,3-thiazol-2-yl)-1-piperidin-2-ylmethanesulfonamide has a molecular weight of 340.27 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1,3-thiazol-2-yl)-1-piperidin-2-ylmethanesulfonamide is sourced from PubChem (CID 54974227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).