1-(2,5-dibromothiophen-3-yl)sulfonyl-3-ethylpiperidin-4-amine

C11H16Br2N2O2S2 — CID 81458578

IUPAC1-(2,5-dibromothiophen-3-yl)sulfonyl-3-ethylpiperidin-4-amine
SMILESCCC1CN(S(=O)(=O)c2cc(Br)sc2Br)CCC1N
InChIInChI=1S/C11H16Br2N2O2S2/c1-2-7-6-15(4-3-8(7)14)19(16,17)9-5-10(12)18-11(9)13/h5,7-8H,2-4,6,14H2,1H3
InChIKeyBOFNZIHXBOTEAM-UHFFFAOYSA-N
MW432.20 g/mol
LogP3.02
Rot. Bonds3

About 1-(2,5-dibromothiophen-3-yl)sulfonyl-3-ethylpiperidin-4-amine

1-(2,5-dibromothiophen-3-yl)sulfonyl-3-ethylpiperidin-4-amine (PubChem CID 81458578) has the molecular formula C11H16Br2N2O2S2 and a molecular weight of 432.20 g/mol. Its IUPAC name is 1-(2,5-dibromothiophen-3-yl)sulfonyl-3-ethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(2,5-dibromothiophen-3-yl)sulfonyl-3-ethylpiperidin-4-amine
PubChem CID81458578
Molecular FormulaC11H16Br2N2O2S2
Molecular Weight432.20 g/mol
Exact Mass429.90
IUPAC Name1-(2,5-dibromothiophen-3-yl)sulfonyl-3-ethylpiperidin-4-amine
SMILESCCC1CN(S(=O)(=O)c2cc(Br)sc2Br)CCC1N
InChIInChI=1S/C11H16Br2N2O2S2/c1-2-7-6-15(4-3-8(7)14)19(16,17)9-5-10(12)18-11(9)13/h5,7-8H,2-4,6,14H2,1H3
InChIKeyBOFNZIHXBOTEAM-UHFFFAOYSA-N
XLogP3.02
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.20
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dimethylphenyl)sulfonyl-3-ethylpiperidin-4-amine
CID 81458322
1-[1-(2,5-dibromothiophen-3-yl)sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 63248513
3-ethyl-1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-amine
CID 81458222
(3S)-1-(2,5-dibromothiophen-3-yl)sulfonylpiperidin-3-ol
CID 93084326
(3S)-1-(2,5-dibromothiophen-3-yl)sulfonyl-3-methylpiperazine
CID 104976633
1-(2,5-dibromothiophen-3-yl)sulfonylpyrrolidine
CID 60652131
3-ethyl-1-(2-methoxyphenyl)sulfonylpiperidin-4-amine
CID 81458430
1-[(5-bromo-3-pyridinyl)sulfonyl]-3-ethylpiperidin-4-amine
CID 81456896
4-(4-amino-3-ethylpiperidin-1-yl)sulfonyl-3-methylbenzonitrile
CID 106998996
1-(4-bromo-3-fluorophenyl)sulfonyl-3-ethylpiperidin-4-amine
CID 107093333
[1-(2,5-dibromothiophen-3-yl)sulfonylpyrrolidin-2-yl]methanamine
CID 113284428
1-(5-chloro-4-nitrothiophen-2-yl)sulfonyl-3-ethylpiperidin-4-amine
CID 81452738

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromothiophen-3-yl)sulfonyl-3-ethylpiperidin-4-amine?
The IUPAC name of 1-(2,5-dibromothiophen-3-yl)sulfonyl-3-ethylpiperidin-4-amine (CID 81458578) is 1-(2,5-dibromothiophen-3-yl)sulfonyl-3-ethylpiperidin-4-amine.
What is the SMILES notation for 1-(2,5-dibromothiophen-3-yl)sulfonyl-3-ethylpiperidin-4-amine?
The canonical SMILES for 1-(2,5-dibromothiophen-3-yl)sulfonyl-3-ethylpiperidin-4-amine is CCC1CN(S(=O)(=O)c2cc(Br)sc2Br)CCC1N.
What is the InChIKey of 1-(2,5-dibromothiophen-3-yl)sulfonyl-3-ethylpiperidin-4-amine?
The InChIKey is BOFNZIHXBOTEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Br2N2O2S2/c1-2-7-6-15(4-3-8(7)14)19(16,17)9-5-10(12)18-11(9)13/h5,7-8H,2-4,6,14H2,1H3.
What are the key properties of 1-(2,5-dibromothiophen-3-yl)sulfonyl-3-ethylpiperidin-4-amine?
1-(2,5-dibromothiophen-3-yl)sulfonyl-3-ethylpiperidin-4-amine has a molecular weight of 432.20 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromothiophen-3-yl)sulfonyl-3-ethylpiperidin-4-amine is sourced from PubChem (CID 81458578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).