(2,5-dibromophenyl)-(4-methylsulfanylpiperidin-1-yl)methanone

C13H15Br2NOS — CID 114237331

IUPAC(2,5-dibromophenyl)-(4-methylsulfanylpiperidin-1-yl)methanone
SMILESCSC1CCN(C(=O)c2cc(Br)ccc2Br)CC1
InChIInChI=1S/C13H15Br2NOS/c1-18-10-4-6-16(7-5-10)13(17)11-8-9(14)2-3-12(11)15/h2-3,8,10H,4-7H2,1H3
InChIKeyHQBOOFOWXSANDC-UHFFFAOYSA-N
MW393.14 g/mol
LogP4.18
Rot. Bonds2

About (2,5-dibromophenyl)-(4-methylsulfanylpiperidin-1-yl)methanone

(2,5-dibromophenyl)-(4-methylsulfanylpiperidin-1-yl)methanone (PubChem CID 114237331) has the molecular formula C13H15Br2NOS and a molecular weight of 393.14 g/mol. Its IUPAC name is (2,5-dibromophenyl)-(4-methylsulfanylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2,5-dibromophenyl)-(4-methylsulfanylpiperidin-1-yl)methanone
PubChem CID114237331
Molecular FormulaC13H15Br2NOS
Molecular Weight393.14 g/mol
Exact Mass390.92
IUPAC Name(2,5-dibromophenyl)-(4-methylsulfanylpiperidin-1-yl)methanone
SMILESCSC1CCN(C(=O)c2cc(Br)ccc2Br)CC1
InChIInChI=1S/C13H15Br2NOS/c1-18-10-4-6-16(7-5-10)13(17)11-8-9(14)2-3-12(11)15/h2-3,8,10H,4-7H2,1H3
InChIKeyHQBOOFOWXSANDC-UHFFFAOYSA-N
XLogP4.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.14
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2,5-dibromophenyl)-(4-methylsulfanylpiperidin-1-yl)methanone 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

2-[1-(2,5-dibromobenzoyl)piperidin-4-yl]acetic acid
CID 114368157
(2-amino-5-bromo-4-pyridinyl)-(4-methylsulfanylpiperidin-1-yl)methanone
CID 114236465
(2,5-dibromophenyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 114372546
1-(2,5-dibromobenzoyl)pyrrolidine-3-carboxamide
CID 104919326
2-[4-(2,5-dibromobenzoyl)piperazin-1-yl]propanoic acid
CID 114367989
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(2,5-dibromophenyl)methanone
CID 114960521
(2,5-dibromophenyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone
CID 103533835
(5-bromo-2-methylphenyl)-(4-chloropiperidin-1-yl)methanone
CID 65309510
(2,5-dibromophenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 114371674
(2-bromo-5-methylphenyl)-[4-(bromomethyl)piperidin-1-yl]methanone
CID 81117231
(4-fluoro-2-hydroxyphenyl)-(4-methylsulfanylpiperidin-1-yl)methanone
CID 114237427
(2,4-dibromophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 113345204

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromophenyl)-(4-methylsulfanylpiperidin-1-yl)methanone?
The IUPAC name of (2,5-dibromophenyl)-(4-methylsulfanylpiperidin-1-yl)methanone (CID 114237331) is (2,5-dibromophenyl)-(4-methylsulfanylpiperidin-1-yl)methanone.
What is the SMILES notation for (2,5-dibromophenyl)-(4-methylsulfanylpiperidin-1-yl)methanone?
The canonical SMILES for (2,5-dibromophenyl)-(4-methylsulfanylpiperidin-1-yl)methanone is CSC1CCN(C(=O)c2cc(Br)ccc2Br)CC1.
What is the InChIKey of (2,5-dibromophenyl)-(4-methylsulfanylpiperidin-1-yl)methanone?
The InChIKey is HQBOOFOWXSANDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Br2NOS/c1-18-10-4-6-16(7-5-10)13(17)11-8-9(14)2-3-12(11)15/h2-3,8,10H,4-7H2,1H3.
What are the key properties of (2,5-dibromophenyl)-(4-methylsulfanylpiperidin-1-yl)methanone?
(2,5-dibromophenyl)-(4-methylsulfanylpiperidin-1-yl)methanone has a molecular weight of 393.14 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibromophenyl)-(4-methylsulfanylpiperidin-1-yl)methanone is sourced from PubChem (CID 114237331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).