1-(3-bromothiophen-2-yl)sulfonyl-N-ethylpiperidin-4-amine

C11H17BrN2O2S2 — CID 54947086

IUPAC1-(3-bromothiophen-2-yl)sulfonyl-N-ethylpiperidin-4-amine
SMILESCCNC1CCN(S(=O)(=O)c2sccc2Br)CC1
InChIInChI=1S/C11H17BrN2O2S2/c1-2-13-9-3-6-14(7-4-9)18(15,16)11-10(12)5-8-17-11/h5,8-9,13H,2-4,6-7H2,1H3
InChIKeyCHHHPIJDLVWKDZ-UHFFFAOYSA-N
MW353.31 g/mol
LogP2.27
Rot. Bonds4

About 1-(3-bromothiophen-2-yl)sulfonyl-N-ethylpiperidin-4-amine

1-(3-bromothiophen-2-yl)sulfonyl-N-ethylpiperidin-4-amine (PubChem CID 54947086) has the molecular formula C11H17BrN2O2S2 and a molecular weight of 353.31 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)sulfonyl-N-ethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)sulfonyl-N-ethylpiperidin-4-amine
PubChem CID54947086
Molecular FormulaC11H17BrN2O2S2
Molecular Weight353.31 g/mol
Exact Mass351.99
IUPAC Name1-(3-bromothiophen-2-yl)sulfonyl-N-ethylpiperidin-4-amine
SMILESCCNC1CCN(S(=O)(=O)c2sccc2Br)CC1
InChIInChI=1S/C11H17BrN2O2S2/c1-2-13-9-3-6-14(7-4-9)18(15,16)11-10(12)5-8-17-11/h5,8-9,13H,2-4,6-7H2,1H3
InChIKeyCHHHPIJDLVWKDZ-UHFFFAOYSA-N
XLogP2.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.31
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)sulfonyl-N-ethylpiperidin-4-amine?
The IUPAC name of 1-(3-bromothiophen-2-yl)sulfonyl-N-ethylpiperidin-4-amine (CID 54947086) is 1-(3-bromothiophen-2-yl)sulfonyl-N-ethylpiperidin-4-amine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)sulfonyl-N-ethylpiperidin-4-amine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)sulfonyl-N-ethylpiperidin-4-amine is CCNC1CCN(S(=O)(=O)c2sccc2Br)CC1.
What is the InChIKey of 1-(3-bromothiophen-2-yl)sulfonyl-N-ethylpiperidin-4-amine?
The InChIKey is CHHHPIJDLVWKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O2S2/c1-2-13-9-3-6-14(7-4-9)18(15,16)11-10(12)5-8-17-11/h5,8-9,13H,2-4,6-7H2,1H3.
What are the key properties of 1-(3-bromothiophen-2-yl)sulfonyl-N-ethylpiperidin-4-amine?
1-(3-bromothiophen-2-yl)sulfonyl-N-ethylpiperidin-4-amine has a molecular weight of 353.31 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)sulfonyl-N-ethylpiperidin-4-amine is sourced from PubChem (CID 54947086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).