(3S)-1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidin-3-amine

C10H15BrN2O2S2 — CID 124517018

IUPAC(3S)-1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidin-3-amine
SMILESCc1cc(S(=O)(=O)N2CCC[C@H](N)C2)sc1Br
InChIInChI=1S/C10H15BrN2O2S2/c1-7-5-9(16-10(7)11)17(14,15)13-4-2-3-8(12)6-13/h5,8H,2-4,6,12H2,1H3/t8-/m0/s1
InChIKeyUUCOWOSXGBINNH-QMMMGPOBSA-N
MW339.28 g/mol
LogP1.93
Rot. Bonds2

About (3S)-1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidin-3-amine

(3S)-1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidin-3-amine (PubChem CID 124517018) has the molecular formula C10H15BrN2O2S2 and a molecular weight of 339.28 g/mol. Its IUPAC name is (3S)-1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidin-3-amine.

Molecular Properties

Compound Name(3S)-1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidin-3-amine
PubChem CID124517018
Molecular FormulaC10H15BrN2O2S2
Molecular Weight339.28 g/mol
Exact Mass337.98
IUPAC Name(3S)-1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidin-3-amine
SMILESCc1cc(S(=O)(=O)N2CCC[C@H](N)C2)sc1Br
InChIInChI=1S/C10H15BrN2O2S2/c1-7-5-9(16-10(7)11)17(14,15)13-4-2-3-8(12)6-13/h5,8H,2-4,6,12H2,1H3/t8-/m0/s1
InChIKeyUUCOWOSXGBINNH-QMMMGPOBSA-N
XLogP1.93
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidin-3-amine 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-1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidine
CID 80676134
1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidine-3-carboxylic acid
CID 79988524
[1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidin-3-yl]methylurea
CID 79998589
1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-3-(chloromethyl)pyrrolidine
CID 79988757
1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-4-methylpiperidin-3-ol
CID 103896891
4-bromo-1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidine
CID 80672635
(3S)-1-(5-chloro-4-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine
CID 103100505
1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride
CID 120585555
4-(5-bromo-4-methylthiophen-2-yl)sulfonyl-1,4-thiazepane
CID 79930783
1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidine-4-carboxamide
CID 79926328
1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-4,4-dimethylpiperidine
CID 79995171
1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-3-amine
CID 43605392

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidin-3-amine?
The IUPAC name of (3S)-1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidin-3-amine (CID 124517018) is (3S)-1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidin-3-amine.
What is the SMILES notation for (3S)-1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidin-3-amine?
The canonical SMILES for (3S)-1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidin-3-amine is Cc1cc(S(=O)(=O)N2CCC[C@H](N)C2)sc1Br.
What is the InChIKey of (3S)-1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidin-3-amine?
The InChIKey is UUCOWOSXGBINNH-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H15BrN2O2S2/c1-7-5-9(16-10(7)11)17(14,15)13-4-2-3-8(12)6-13/h5,8H,2-4,6,12H2,1H3/t8-/m0/s1.
What are the key properties of (3S)-1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidin-3-amine?
(3S)-1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidin-3-amine has a molecular weight of 339.28 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidin-3-amine is sourced from PubChem (CID 124517018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).