1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-4-methylpiperidin-3-ol

C11H16BrNO3S2 — CID 103896891

IUPAC1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-4-methylpiperidin-3-ol
SMILESCc1cc(S(=O)(=O)N2CCC(C)C(O)C2)sc1Br
InChIInChI=1S/C11H16BrNO3S2/c1-7-3-4-13(6-9(7)14)18(15,16)10-5-8(2)11(12)17-10/h5,7,9,14H,3-4,6H2,1-2H3
InChIKeyDYVBYPQRGDQXEE-UHFFFAOYSA-N
MW354.29 g/mol
LogP2.21
Rot. Bonds2

About 1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-4-methylpiperidin-3-ol

1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-4-methylpiperidin-3-ol (PubChem CID 103896891) has the molecular formula C11H16BrNO3S2 and a molecular weight of 354.29 g/mol. Its IUPAC name is 1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-4-methylpiperidin-3-ol
PubChem CID103896891
Molecular FormulaC11H16BrNO3S2
Molecular Weight354.29 g/mol
Exact Mass352.98
IUPAC Name1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-4-methylpiperidin-3-ol
SMILESCc1cc(S(=O)(=O)N2CCC(C)C(O)C2)sc1Br
InChIInChI=1S/C11H16BrNO3S2/c1-7-3-4-13(6-9(7)14)18(15,16)10-5-8(2)11(12)17-10/h5,7,9,14H,3-4,6H2,1-2H3
InChIKeyDYVBYPQRGDQXEE-UHFFFAOYSA-N
XLogP2.21
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 52.21
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
1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-3-(chloromethyl)pyrrolidine
CID 79988757
3-bromo-1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidine
CID 80676134
(3S)-1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidin-3-amine
CID 124517018
1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidine-4-carboxamide
CID 79926328
1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidine-3-carboxylic acid
CID 79988524
1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-3,5-dimethylpiperazine
CID 79987539
1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride
CID 120585555
1-(5-bromo-2-methylphenyl)sulfonyl-4-methylpiperidin-3-ol
CID 103896903
4-methyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-ol
CID 103896846
1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-4,4-dimethylpiperidine
CID 79995171
3-[1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidin-4-yl]propanoic acid
CID 79997724

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-4-methylpiperidin-3-ol?
The IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-4-methylpiperidin-3-ol (CID 103896891) is 1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-4-methylpiperidin-3-ol.
What is the SMILES notation for 1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-4-methylpiperidin-3-ol?
The canonical SMILES for 1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-4-methylpiperidin-3-ol is Cc1cc(S(=O)(=O)N2CCC(C)C(O)C2)sc1Br.
What is the InChIKey of 1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-4-methylpiperidin-3-ol?
The InChIKey is DYVBYPQRGDQXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO3S2/c1-7-3-4-13(6-9(7)14)18(15,16)10-5-8(2)11(12)17-10/h5,7,9,14H,3-4,6H2,1-2H3.
What are the key properties of 1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-4-methylpiperidin-3-ol?
1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-4-methylpiperidin-3-ol has a molecular weight of 354.29 g/mol, XLogP of 2.21, 2 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)sulfonyl-4-methylpiperidin-3-ol is sourced from PubChem (CID 103896891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).