(2R)-1-[(5-bromo-3-pyridinyl)sulfonyl]-2-methylpiperazine

C10H14BrN3O2S — CID 82755884

IUPAC(2R)-1-[(5-bromo-3-pyridinyl)sulfonyl]-2-methylpiperazine
SMILESC[C@@H]1CNCCN1S(=O)(=O)c1cncc(Br)c1
InChIInChI=1S/C10H14BrN3O2S/c1-8-5-12-2-3-14(8)17(15,16)10-4-9(11)6-13-7-10/h4,6-8,12H,2-3,5H2,1H3/t8-/m1/s1
InChIKeyBJYBTGIBPACNGC-MRVPVSSYSA-N
MW320.21 g/mol
LogP0.83
Rot. Bonds2

About (2R)-1-[(5-bromo-3-pyridinyl)sulfonyl]-2-methylpiperazine

(2R)-1-[(5-bromo-3-pyridinyl)sulfonyl]-2-methylpiperazine (PubChem CID 82755884) has the molecular formula C10H14BrN3O2S and a molecular weight of 320.21 g/mol. Its IUPAC name is (2R)-1-[(5-bromo-3-pyridinyl)sulfonyl]-2-methylpiperazine.

Molecular Properties

Compound Name(2R)-1-[(5-bromo-3-pyridinyl)sulfonyl]-2-methylpiperazine
PubChem CID82755884
Molecular FormulaC10H14BrN3O2S
Molecular Weight320.21 g/mol
Exact Mass319.00
IUPAC Name(2R)-1-[(5-bromo-3-pyridinyl)sulfonyl]-2-methylpiperazine
SMILESC[C@@H]1CNCCN1S(=O)(=O)c1cncc(Br)c1
InChIInChI=1S/C10H14BrN3O2S/c1-8-5-12-2-3-14(8)17(15,16)10-4-9(11)6-13-7-10/h4,6-8,12H,2-3,5H2,1H3/t8-/m1/s1
InChIKeyBJYBTGIBPACNGC-MRVPVSSYSA-N
XLogP0.83
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.21
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-1-[(5-bromo-3-pyridinyl)sulfonyl]-2-methylpiperazine 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

3-Bromo-2-chloro-5-(4-ethylpiperazin-1-ylsulfonyl)pyridine
CID 1034224
1-[(5-Bromo-6-chloropyridin-3-yl)sulfonyl]-4-methylpiperazine
CID 3957358
Benzenesulfonamide, p-bromo-N-(3-pyridyl)-
CID 199072
3-Bromo-2-chloro-5-[(4-methyl-1-piperidinyl)sulfonyl]pyridine
CID 1034227
4-bromo-N-[2-(dimethylamino)-2-pyridin-3-ylethyl]benzenesulfonamide
CID 3244120
3-Bromo-2-chloro-5-[(2-methyl-1-piperidinyl)sulfonyl]pyridine
CID 3818861
2-[(5-Bromo-6-chloro-3-pyridinyl)sulfonyl]-2,5-diazabicyclo[2.2.1]heptane
CID 44427096
5-Bromopyridine-3-sulfonamide
CID 12684258
5-Bromo-N-tert-butylpyridine-3-sulfonamide
CID 61794951
5-Bromo-3-(4-methylpiperazin-1-ylsulfonyl)pyridin-2-amine
CID 22515880
2-amino-5-bromo-N-butyl-pyridine-3-sulfonamide
CID 22515931
2-amino-5-bromo-N-cyclohexylpyridine-3-sulfonamide
CID 22515840

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(5-bromo-3-pyridinyl)sulfonyl]-2-methylpiperazine?
The IUPAC name of (2R)-1-[(5-bromo-3-pyridinyl)sulfonyl]-2-methylpiperazine (CID 82755884) is (2R)-1-[(5-bromo-3-pyridinyl)sulfonyl]-2-methylpiperazine.
What is the SMILES notation for (2R)-1-[(5-bromo-3-pyridinyl)sulfonyl]-2-methylpiperazine?
The canonical SMILES for (2R)-1-[(5-bromo-3-pyridinyl)sulfonyl]-2-methylpiperazine is C[C@@H]1CNCCN1S(=O)(=O)c1cncc(Br)c1.
What is the InChIKey of (2R)-1-[(5-bromo-3-pyridinyl)sulfonyl]-2-methylpiperazine?
The InChIKey is BJYBTGIBPACNGC-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H14BrN3O2S/c1-8-5-12-2-3-14(8)17(15,16)10-4-9(11)6-13-7-10/h4,6-8,12H,2-3,5H2,1H3/t8-/m1/s1.
What are the key properties of (2R)-1-[(5-bromo-3-pyridinyl)sulfonyl]-2-methylpiperazine?
(2R)-1-[(5-bromo-3-pyridinyl)sulfonyl]-2-methylpiperazine has a molecular weight of 320.21 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(5-bromo-3-pyridinyl)sulfonyl]-2-methylpiperazine is sourced from PubChem (CID 82755884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).