3-bromo-5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfinylpyridine

C16H24BrN3OS — CID 170107695

IUPAC3-bromo-5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfinylpyridine
SMILESCC1CCN(C2CCN(S(=O)c3cncc(Br)c3)CC2)CC1
InChIInChI=1S/C16H24BrN3OS/c1-13-2-6-19(7-3-13)15-4-8-20(9-5-15)22(21)16-10-14(17)11-18-12-16/h10-13,15H,2-9H2,1H3
InChIKeyWMWZEWWXIDJPOZ-UHFFFAOYSA-N
MW386.36 g/mol
LogP3.06
Rot. Bonds3

About 3-bromo-5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfinylpyridine

3-bromo-5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfinylpyridine (PubChem CID 170107695) has the molecular formula C16H24BrN3OS and a molecular weight of 386.36 g/mol. Its IUPAC name is 3-bromo-5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfinylpyridine.

Molecular Properties

Compound Name3-bromo-5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfinylpyridine
PubChem CID170107695
Molecular FormulaC16H24BrN3OS
Molecular Weight386.36 g/mol
Exact Mass385.08
IUPAC Name3-bromo-5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfinylpyridine
SMILESCC1CCN(C2CCN(S(=O)c3cncc(Br)c3)CC2)CC1
InChIInChI=1S/C16H24BrN3OS/c1-13-2-6-19(7-3-13)15-4-8-20(9-5-15)22(21)16-10-14(17)11-18-12-16/h10-13,15H,2-9H2,1H3
InChIKeyWMWZEWWXIDJPOZ-UHFFFAOYSA-N
XLogP3.06
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.36
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-bromo-5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfinylpyridine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfinylpyridine?
The IUPAC name of 3-bromo-5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfinylpyridine (CID 170107695) is 3-bromo-5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfinylpyridine.
What is the SMILES notation for 3-bromo-5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfinylpyridine?
The canonical SMILES for 3-bromo-5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfinylpyridine is CC1CCN(C2CCN(S(=O)c3cncc(Br)c3)CC2)CC1.
What is the InChIKey of 3-bromo-5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfinylpyridine?
The InChIKey is WMWZEWWXIDJPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3OS/c1-13-2-6-19(7-3-13)15-4-8-20(9-5-15)22(21)16-10-14(17)11-18-12-16/h10-13,15H,2-9H2,1H3.
What are the key properties of 3-bromo-5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfinylpyridine?
3-bromo-5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfinylpyridine has a molecular weight of 386.36 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfinylpyridine is sourced from PubChem (CID 170107695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).