4-bromo-1-(5-bromo-2-methylthiophen-3-yl)sulfonylpiperidine

C10H13Br2NO2S2 — CID 80672715

IUPAC4-bromo-1-(5-bromo-2-methylthiophen-3-yl)sulfonylpiperidine
SMILESCc1sc(Br)cc1S(=O)(=O)N1CCC(Br)CC1
InChIInChI=1S/C10H13Br2NO2S2/c1-7-9(6-10(12)16-7)17(14,15)13-4-2-8(11)3-5-13/h6,8H,2-5H2,1H3
InChIKeyHGOYBHQTQNATJZ-UHFFFAOYSA-N
MW403.16 g/mol
LogP3.37
Rot. Bonds2

About 4-bromo-1-(5-bromo-2-methylthiophen-3-yl)sulfonylpiperidine

4-bromo-1-(5-bromo-2-methylthiophen-3-yl)sulfonylpiperidine (PubChem CID 80672715) has the molecular formula C10H13Br2NO2S2 and a molecular weight of 403.16 g/mol. Its IUPAC name is 4-bromo-1-(5-bromo-2-methylthiophen-3-yl)sulfonylpiperidine.

Molecular Properties

Compound Name4-bromo-1-(5-bromo-2-methylthiophen-3-yl)sulfonylpiperidine
PubChem CID80672715
Molecular FormulaC10H13Br2NO2S2
Molecular Weight403.16 g/mol
Exact Mass400.88
IUPAC Name4-bromo-1-(5-bromo-2-methylthiophen-3-yl)sulfonylpiperidine
SMILESCc1sc(Br)cc1S(=O)(=O)N1CCC(Br)CC1
InChIInChI=1S/C10H13Br2NO2S2/c1-7-9(6-10(12)16-7)17(14,15)13-4-2-8(11)3-5-13/h6,8H,2-5H2,1H3
InChIKeyHGOYBHQTQNATJZ-UHFFFAOYSA-N
XLogP3.37
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.16
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 4-bromo-1-(5-bromo-2-methylthiophen-3-yl)sulfonylpiperidine 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

(3S)-1-(5-bromo-2-methylthiophen-3-yl)sulfonylpyrrolidine-3-carboxylic acid
CID 124517195
1-(5-bromo-2-methylthiophen-3-yl)sulfonyl-3,3-dimethylpiperidin-4-amine
CID 120779642
1-(5-bromo-2-methylthiophen-3-yl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride
CID 119987415
(3S)-1-(5-bromo-2-methylthiophen-3-yl)sulfonyl-N-methylpiperidin-3-amine
CID 124517202
1-(5-bromo-2-methylthiophen-3-yl)sulfonyl-1,4-diazepane;hydrochloride
CID 119963191
4-bromo-1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidine
CID 80672635
1-[(3S)-1-(5-bromo-2-methylthiophen-3-yl)sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 124517199
1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidin-4-amine
CID 43556372
1-[1-(5-bromo-2-methylthiophen-3-yl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119960931
2-(5-bromo-2-methylthiophen-3-yl)sulfonyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81096789
1-(2,5-dimethylthiophen-3-yl)sulfonyl-N-methylpiperidin-4-amine
CID 119979998
[4-(5-bromo-2-methylthiophen-3-yl)sulfonylpiperazin-1-yl]-(4-fluorophenyl)methanone
CID 166234359

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(5-bromo-2-methylthiophen-3-yl)sulfonylpiperidine?
The IUPAC name of 4-bromo-1-(5-bromo-2-methylthiophen-3-yl)sulfonylpiperidine (CID 80672715) is 4-bromo-1-(5-bromo-2-methylthiophen-3-yl)sulfonylpiperidine.
What is the SMILES notation for 4-bromo-1-(5-bromo-2-methylthiophen-3-yl)sulfonylpiperidine?
The canonical SMILES for 4-bromo-1-(5-bromo-2-methylthiophen-3-yl)sulfonylpiperidine is Cc1sc(Br)cc1S(=O)(=O)N1CCC(Br)CC1.
What is the InChIKey of 4-bromo-1-(5-bromo-2-methylthiophen-3-yl)sulfonylpiperidine?
The InChIKey is HGOYBHQTQNATJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br2NO2S2/c1-7-9(6-10(12)16-7)17(14,15)13-4-2-8(11)3-5-13/h6,8H,2-5H2,1H3.
What are the key properties of 4-bromo-1-(5-bromo-2-methylthiophen-3-yl)sulfonylpiperidine?
4-bromo-1-(5-bromo-2-methylthiophen-3-yl)sulfonylpiperidine has a molecular weight of 403.16 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(5-bromo-2-methylthiophen-3-yl)sulfonylpiperidine is sourced from PubChem (CID 80672715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).