1-[1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpiperidin-3-yl]ethanamine

C11H16BrClN2O2S2 — CID 80578318

IUPAC1-[1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpiperidin-3-yl]ethanamine
SMILESCC(N)C1CCCN(S(=O)(=O)c2cc(Cl)c(Br)s2)C1
InChIInChI=1S/C11H16BrClN2O2S2/c1-7(14)8-3-2-4-15(6-8)19(16,17)10-5-9(13)11(12)18-10/h5,7-8H,2-4,6,14H2,1H3
InChIKeyZPIBWALPRUSQAJ-UHFFFAOYSA-N
MW387.75 g/mol
LogP2.91
Rot. Bonds3

About 1-[1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpiperidin-3-yl]ethanamine

1-[1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpiperidin-3-yl]ethanamine (PubChem CID 80578318) has the molecular formula C11H16BrClN2O2S2 and a molecular weight of 387.75 g/mol. Its IUPAC name is 1-[1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpiperidin-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpiperidin-3-yl]ethanamine
PubChem CID80578318
Molecular FormulaC11H16BrClN2O2S2
Molecular Weight387.75 g/mol
Exact Mass385.95
IUPAC Name1-[1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpiperidin-3-yl]ethanamine
SMILESCC(N)C1CCCN(S(=O)(=O)c2cc(Cl)c(Br)s2)C1
InChIInChI=1S/C11H16BrClN2O2S2/c1-7(14)8-3-2-4-15(6-8)19(16,17)10-5-9(13)11(12)18-10/h5,7-8H,2-4,6,14H2,1H3
InChIKeyZPIBWALPRUSQAJ-UHFFFAOYSA-N
XLogP2.91
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.75
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-3-isocyanatopiperidine
CID 80578054
1-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-4-tert-butylazepane
CID 80578871
1-[1-(2-bromo-4-chlorophenyl)sulfonylpiperidin-3-yl]ethanamine
CID 120710836
(1S)-1-[(3S)-1-(2-chloro-4-methylphenyl)sulfonylpiperidin-3-yl]ethanamine
CID 124678238
1-[1-(5-tert-butylthiophen-2-yl)sulfonylpiperidin-3-yl]ethanamine
CID 119984524
4-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-1,2,6-trimethylpiperazine
CID 113498483
1-[1-(5-tert-butylthiophen-2-yl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 119984523
N-[1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]acetamide
CID 113402591
5-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-4,6,7,7a-tetrahydro-3aH-furo[3,4-c]pyridine-1,3-dione
CID 115917735
1-[1-(2-chloro-4-fluoro-5-methylphenyl)sulfonylpiperidin-3-yl]ethanamine
CID 119984302
1-[1-(4-bromo-2-methylphenyl)sulfonylpiperidin-3-yl]ethanamine
CID 120710828
(1S)-1-[(3R)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]ethanamine
CID 124678233

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpiperidin-3-yl]ethanamine?
The IUPAC name of 1-[1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpiperidin-3-yl]ethanamine (CID 80578318) is 1-[1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpiperidin-3-yl]ethanamine.
What is the SMILES notation for 1-[1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpiperidin-3-yl]ethanamine?
The canonical SMILES for 1-[1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpiperidin-3-yl]ethanamine is CC(N)C1CCCN(S(=O)(=O)c2cc(Cl)c(Br)s2)C1.
What is the InChIKey of 1-[1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpiperidin-3-yl]ethanamine?
The InChIKey is ZPIBWALPRUSQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrClN2O2S2/c1-7(14)8-3-2-4-15(6-8)19(16,17)10-5-9(13)11(12)18-10/h5,7-8H,2-4,6,14H2,1H3.
What are the key properties of 1-[1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpiperidin-3-yl]ethanamine?
1-[1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpiperidin-3-yl]ethanamine has a molecular weight of 387.75 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpiperidin-3-yl]ethanamine is sourced from PubChem (CID 80578318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).