(3S)-1-(2,5-dibromothiophen-3-yl)sulfonylpiperidin-3-ol

C9H11Br2NO3S2 — CID 93084326

IUPAC(3S)-1-(2,5-dibromothiophen-3-yl)sulfonylpiperidin-3-ol
SMILESO=S(=O)(c1cc(Br)sc1Br)N1CCC[C@H](O)C1
InChIInChI=1S/C9H11Br2NO3S2/c10-8-4-7(9(11)16-8)17(14,15)12-3-1-2-6(13)5-12/h4,6,13H,1-3,5H2/t6-/m0/s1
InChIKeyYQJQSCYPVDDCBX-LURJTMIESA-N
MW405.13 g/mol
LogP2.42
Rot. Bonds2

About (3S)-1-(2,5-dibromothiophen-3-yl)sulfonylpiperidin-3-ol

(3S)-1-(2,5-dibromothiophen-3-yl)sulfonylpiperidin-3-ol (PubChem CID 93084326) has the molecular formula C9H11Br2NO3S2 and a molecular weight of 405.13 g/mol. Its IUPAC name is (3S)-1-(2,5-dibromothiophen-3-yl)sulfonylpiperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-(2,5-dibromothiophen-3-yl)sulfonylpiperidin-3-ol
PubChem CID93084326
Molecular FormulaC9H11Br2NO3S2
Molecular Weight405.13 g/mol
Exact Mass402.85
IUPAC Name(3S)-1-(2,5-dibromothiophen-3-yl)sulfonylpiperidin-3-ol
SMILESO=S(=O)(c1cc(Br)sc1Br)N1CCC[C@H](O)C1
InChIInChI=1S/C9H11Br2NO3S2/c10-8-4-7(9(11)16-8)17(14,15)12-3-1-2-6(13)5-12/h4,6,13H,1-3,5H2/t6-/m0/s1
InChIKeyYQJQSCYPVDDCBX-LURJTMIESA-N
XLogP2.42
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.13
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-1-(2,5-dibromothiophen-3-yl)sulfonylpiperidin-3-ol 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

1-(2,5-dibromothiophen-3-yl)sulfonylpyrrolidine
CID 60652131
(3S)-1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidin-3-ol
CID 93084328
(3S)-1-(4-bromo-2-chlorophenyl)sulfonylpiperidin-3-ol
CID 107225177
(2R)-1-(2,5-dibromothiophen-3-yl)sulfonylpyrrolidine-2-carboxylic acid
CID 78923103
(3S)-1-(2,5-dibromothiophen-3-yl)sulfonyl-3-methylpiperazine
CID 104976633
1-(2,5-dibromothiophen-3-yl)sulfonyl-3-ethylpiperidin-4-amine
CID 81458578
(3S)-1-(5-amino-4-bromo-2-methylphenyl)sulfonylpiperidin-3-ol
CID 107213869
1-(3-amino-2-bromo-5-chlorophenyl)sulfonylpiperidin-3-ol
CID 55133971
1-(2-amino-5-bromo-4-fluorophenyl)sulfonylpiperidin-3-ol
CID 106491404
methyl 5-bromo-4-[(3S)-3-methylpiperidin-1-yl]sulfonylthiophene-2-carboxylate
CID 37476994
1-(4-amino-2,6-dibromophenyl)sulfonylpiperidin-3-ol
CID 43502745
(3S)-1-(5-bromo-2-methylthiophen-3-yl)sulfonyl-N-methylpiperidin-3-amine
CID 124517202

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2,5-dibromothiophen-3-yl)sulfonylpiperidin-3-ol?
The IUPAC name of (3S)-1-(2,5-dibromothiophen-3-yl)sulfonylpiperidin-3-ol (CID 93084326) is (3S)-1-(2,5-dibromothiophen-3-yl)sulfonylpiperidin-3-ol.
What is the SMILES notation for (3S)-1-(2,5-dibromothiophen-3-yl)sulfonylpiperidin-3-ol?
The canonical SMILES for (3S)-1-(2,5-dibromothiophen-3-yl)sulfonylpiperidin-3-ol is O=S(=O)(c1cc(Br)sc1Br)N1CCC[C@H](O)C1.
What is the InChIKey of (3S)-1-(2,5-dibromothiophen-3-yl)sulfonylpiperidin-3-ol?
The InChIKey is YQJQSCYPVDDCBX-LURJTMIESA-N. The full InChI is InChI=1S/C9H11Br2NO3S2/c10-8-4-7(9(11)16-8)17(14,15)12-3-1-2-6(13)5-12/h4,6,13H,1-3,5H2/t6-/m0/s1.
What are the key properties of (3S)-1-(2,5-dibromothiophen-3-yl)sulfonylpiperidin-3-ol?
(3S)-1-(2,5-dibromothiophen-3-yl)sulfonylpiperidin-3-ol has a molecular weight of 405.13 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2,5-dibromothiophen-3-yl)sulfonylpiperidin-3-ol is sourced from PubChem (CID 93084326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).