N-[1-(3-bromothiophen-2-yl)sulfonylpiperidin-4-yl]acetamide

C11H15BrN2O3S2 — CID 113228721

IUPACN-[1-(3-bromothiophen-2-yl)sulfonylpiperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(S(=O)(=O)c2sccc2Br)CC1
InChIInChI=1S/C11H15BrN2O3S2/c1-8(15)13-9-2-5-14(6-3-9)19(16,17)11-10(12)4-7-18-11/h4,7,9H,2-3,5-6H2,1H3,(H,13,15)
InChIKeyQUWXVKJEYRUITB-UHFFFAOYSA-N
MW367.29 g/mol
LogP1.80
Rot. Bonds3

About N-[1-(3-bromothiophen-2-yl)sulfonylpiperidin-4-yl]acetamide

N-[1-(3-bromothiophen-2-yl)sulfonylpiperidin-4-yl]acetamide (PubChem CID 113228721) has the molecular formula C11H15BrN2O3S2 and a molecular weight of 367.29 g/mol. Its IUPAC name is N-[1-(3-bromothiophen-2-yl)sulfonylpiperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-(3-bromothiophen-2-yl)sulfonylpiperidin-4-yl]acetamide
PubChem CID113228721
Molecular FormulaC11H15BrN2O3S2
Molecular Weight367.29 g/mol
Exact Mass365.97
IUPAC NameN-[1-(3-bromothiophen-2-yl)sulfonylpiperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(S(=O)(=O)c2sccc2Br)CC1
InChIInChI=1S/C11H15BrN2O3S2/c1-8(15)13-9-2-5-14(6-3-9)19(16,17)11-10(12)4-7-18-11/h4,7,9H,2-3,5-6H2,1H3,(H,13,15)
InChIKeyQUWXVKJEYRUITB-UHFFFAOYSA-N
XLogP1.80
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-2-methylpropanamide
CID 61073192
1-(3-bromothiophen-2-yl)sulfonyl-N-methylpyrrolidin-3-amine
CID 115300299
1-(3-bromothiophen-2-yl)sulfonyl-4-piperidin-1-ylpiperidine
CID 61067418
(3R)-1-(3-bromothiophen-2-yl)sulfonylpyrrolidin-3-ol
CID 66291405
1-(3-bromothiophen-2-yl)sulfonyl-4-methylpiperidin-3-ol
CID 103896811
1-(3-bromothiophen-2-yl)sulfonylpiperidine-3,4-dicarboxylic acid
CID 115917687
1-(3-bromothiophen-2-yl)sulfonylpiperidine
CID 61072332
1-(3-bromothiophen-2-yl)sulfonylpyrrolidine-3,4-diol
CID 106672713
(3S)-1-(3-bromothiophen-2-yl)sulfonylpyrrolidin-3-amine
CID 115302272
1-(3-bromothiophen-2-yl)sulfonylpiperidin-4-one
CID 61074164
1-(3-bromothiophen-2-yl)sulfonylazetidin-3-ol
CID 63104958
(3R)-1-(3-bromothiophen-2-yl)sulfonylpiperidine-3-carboxylic acid
CID 81120170

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromothiophen-2-yl)sulfonylpiperidin-4-yl]acetamide?
The IUPAC name of N-[1-(3-bromothiophen-2-yl)sulfonylpiperidin-4-yl]acetamide (CID 113228721) is N-[1-(3-bromothiophen-2-yl)sulfonylpiperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-(3-bromothiophen-2-yl)sulfonylpiperidin-4-yl]acetamide?
The canonical SMILES for N-[1-(3-bromothiophen-2-yl)sulfonylpiperidin-4-yl]acetamide is CC(=O)NC1CCN(S(=O)(=O)c2sccc2Br)CC1.
What is the InChIKey of N-[1-(3-bromothiophen-2-yl)sulfonylpiperidin-4-yl]acetamide?
The InChIKey is QUWXVKJEYRUITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O3S2/c1-8(15)13-9-2-5-14(6-3-9)19(16,17)11-10(12)4-7-18-11/h4,7,9H,2-3,5-6H2,1H3,(H,13,15).
What are the key properties of N-[1-(3-bromothiophen-2-yl)sulfonylpiperidin-4-yl]acetamide?
N-[1-(3-bromothiophen-2-yl)sulfonylpiperidin-4-yl]acetamide has a molecular weight of 367.29 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromothiophen-2-yl)sulfonylpiperidin-4-yl]acetamide is sourced from PubChem (CID 113228721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).