N-[2-(5-bromothiophen-2-yl)ethyl]piperidine-3-sulfonamide

C11H17BrN2O2S2 — CID 106049253

IUPACN-[2-(5-bromothiophen-2-yl)ethyl]piperidine-3-sulfonamide
SMILESO=S(=O)(NCCc1ccc(Br)s1)C1CCCNC1
InChIInChI=1S/C11H17BrN2O2S2/c12-11-4-3-9(17-11)5-7-14-18(15,16)10-2-1-6-13-8-10/h3-4,10,13-14H,1-2,5-8H2
InChIKeyAAWQZOCOVVIUTD-UHFFFAOYSA-N
MW353.31 g/mol
LogP1.72
Rot. Bonds5

About N-[2-(5-bromothiophen-2-yl)ethyl]piperidine-3-sulfonamide

N-[2-(5-bromothiophen-2-yl)ethyl]piperidine-3-sulfonamide (PubChem CID 106049253) has the molecular formula C11H17BrN2O2S2 and a molecular weight of 353.31 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)ethyl]piperidine-3-sulfonamide.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)ethyl]piperidine-3-sulfonamide
PubChem CID106049253
Molecular FormulaC11H17BrN2O2S2
Molecular Weight353.31 g/mol
Exact Mass351.99
IUPAC NameN-[2-(5-bromothiophen-2-yl)ethyl]piperidine-3-sulfonamide
SMILESO=S(=O)(NCCc1ccc(Br)s1)C1CCCNC1
InChIInChI=1S/C11H17BrN2O2S2/c12-11-4-3-9(17-11)5-7-14-18(15,16)10-2-1-6-13-8-10/h3-4,10,13-14H,1-2,5-8H2
InChIKeyAAWQZOCOVVIUTD-UHFFFAOYSA-N
XLogP1.72
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.31
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]piperidine-3-sulfonamide?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]piperidine-3-sulfonamide (CID 106049253) is N-[2-(5-bromothiophen-2-yl)ethyl]piperidine-3-sulfonamide.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)ethyl]piperidine-3-sulfonamide?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)ethyl]piperidine-3-sulfonamide is O=S(=O)(NCCc1ccc(Br)s1)C1CCCNC1.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)ethyl]piperidine-3-sulfonamide?
The InChIKey is AAWQZOCOVVIUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O2S2/c12-11-4-3-9(17-11)5-7-14-18(15,16)10-2-1-6-13-8-10/h3-4,10,13-14H,1-2,5-8H2.
What are the key properties of N-[2-(5-bromothiophen-2-yl)ethyl]piperidine-3-sulfonamide?
N-[2-(5-bromothiophen-2-yl)ethyl]piperidine-3-sulfonamide has a molecular weight of 353.31 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromothiophen-2-yl)ethyl]piperidine-3-sulfonamide is sourced from PubChem (CID 106049253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).