N-[1-[2-(4-bromophenyl)sulfonylethyl]piperidin-3-yl]propanamide

C16H23BrN2O3S — CID 51130060

IUPACN-[1-[2-(4-bromophenyl)sulfonylethyl]piperidin-3-yl]propanamide
SMILESCCC(=O)NC1CCCN(CCS(=O)(=O)c2ccc(Br)cc2)C1
InChIInChI=1S/C16H23BrN2O3S/c1-2-16(20)18-14-4-3-9-19(12-14)10-11-23(21,22)15-7-5-13(17)6-8-15/h5-8,14H,2-4,9-12H2,1H3,(H,18,20)
InChIKeyHAMIUGZGUDIMNG-UHFFFAOYSA-N
MW403.34 g/mol
LogP2.21
Rot. Bonds6

About N-[1-[2-(4-bromophenyl)sulfonylethyl]piperidin-3-yl]propanamide

N-[1-[2-(4-bromophenyl)sulfonylethyl]piperidin-3-yl]propanamide (PubChem CID 51130060) has the molecular formula C16H23BrN2O3S and a molecular weight of 403.34 g/mol. Its IUPAC name is N-[1-[2-(4-bromophenyl)sulfonylethyl]piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[1-[2-(4-bromophenyl)sulfonylethyl]piperidin-3-yl]propanamide
PubChem CID51130060
Molecular FormulaC16H23BrN2O3S
Molecular Weight403.34 g/mol
Exact Mass402.06
IUPAC NameN-[1-[2-(4-bromophenyl)sulfonylethyl]piperidin-3-yl]propanamide
SMILESCCC(=O)NC1CCCN(CCS(=O)(=O)c2ccc(Br)cc2)C1
InChIInChI=1S/C16H23BrN2O3S/c1-2-16(20)18-14-4-3-9-19(12-14)10-11-23(21,22)15-7-5-13(17)6-8-15/h5-8,14H,2-4,9-12H2,1H3,(H,18,20)
InChIKeyHAMIUGZGUDIMNG-UHFFFAOYSA-N
XLogP2.21
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-bromophenyl)sulfonylethyl]piperidin-3-yl]propanamide?
The IUPAC name of N-[1-[2-(4-bromophenyl)sulfonylethyl]piperidin-3-yl]propanamide (CID 51130060) is N-[1-[2-(4-bromophenyl)sulfonylethyl]piperidin-3-yl]propanamide.
What is the SMILES notation for N-[1-[2-(4-bromophenyl)sulfonylethyl]piperidin-3-yl]propanamide?
The canonical SMILES for N-[1-[2-(4-bromophenyl)sulfonylethyl]piperidin-3-yl]propanamide is CCC(=O)NC1CCCN(CCS(=O)(=O)c2ccc(Br)cc2)C1.
What is the InChIKey of N-[1-[2-(4-bromophenyl)sulfonylethyl]piperidin-3-yl]propanamide?
The InChIKey is HAMIUGZGUDIMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O3S/c1-2-16(20)18-14-4-3-9-19(12-14)10-11-23(21,22)15-7-5-13(17)6-8-15/h5-8,14H,2-4,9-12H2,1H3,(H,18,20).
What are the key properties of N-[1-[2-(4-bromophenyl)sulfonylethyl]piperidin-3-yl]propanamide?
N-[1-[2-(4-bromophenyl)sulfonylethyl]piperidin-3-yl]propanamide has a molecular weight of 403.34 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-bromophenyl)sulfonylethyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 51130060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).