1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidine-4-carboxamide

C11H15BrN2O3S2 — CID 79926328

IUPAC1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidine-4-carboxamide
SMILESCc1cc(S(=O)(=O)N2CCC(C(N)=O)CC2)sc1Br
InChIInChI=1S/C11H15BrN2O3S2/c1-7-6-9(18-10(7)12)19(16,17)14-4-2-8(3-5-14)11(13)15/h6,8H,2-5H2,1H3,(H2,13,15)
InChIKeySSFBQQRTSDJGHJ-UHFFFAOYSA-N
MW367.29 g/mol
LogP1.71
Rot. Bonds3

About 1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidine-4-carboxamide

1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidine-4-carboxamide (PubChem CID 79926328) has the molecular formula C11H15BrN2O3S2 and a molecular weight of 367.29 g/mol. Its IUPAC name is 1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidine-4-carboxamide
PubChem CID79926328
Molecular FormulaC11H15BrN2O3S2
Molecular Weight367.29 g/mol
Exact Mass365.97
IUPAC Name1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidine-4-carboxamide
SMILESCc1cc(S(=O)(=O)N2CCC(C(N)=O)CC2)sc1Br
InChIInChI=1S/C11H15BrN2O3S2/c1-7-6-9(18-10(7)12)19(16,17)14-4-2-8(3-5-14)11(13)15/h6,8H,2-5H2,1H3,(H2,13,15)
InChIKeySSFBQQRTSDJGHJ-UHFFFAOYSA-N
XLogP1.71
TPSA80.47 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 ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidine
CID 80672635
3-[1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidin-4-yl]propanoic acid
CID 79997724
1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-4-methylpiperidin-3-ol
CID 103896891
1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-4,4-dimethylpiperidine
CID 79995171
1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidine-3-carboxylic acid
CID 79988524
1-[1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119978133
2-[4-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperazin-1-yl]ethanethioamide
CID 79988846
1-(4-bromo-2-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 15944015
(3S)-1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidin-3-amine
CID 124517018
1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-3-(chloromethyl)pyrrolidine
CID 79988757
1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 6462654
2-[4-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperazin-1-yl]propanoic acid
CID 79997725

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidine-4-carboxamide (CID 79926328) is 1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for 1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidine-4-carboxamide is Cc1cc(S(=O)(=O)N2CCC(C(N)=O)CC2)sc1Br.
What is the InChIKey of 1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidine-4-carboxamide?
The InChIKey is SSFBQQRTSDJGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O3S2/c1-7-6-9(18-10(7)12)19(16,17)14-4-2-8(3-5-14)11(13)15/h6,8H,2-5H2,1H3,(H2,13,15).
What are the key properties of 1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidine-4-carboxamide?
1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidine-4-carboxamide has a molecular weight of 367.29 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 79926328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).