1-(3-bromothiophen-2-yl)sulfonyl-4-methylpiperidin-3-ol

C10H14BrNO3S2 — CID 103896811

IUPAC1-(3-bromothiophen-2-yl)sulfonyl-4-methylpiperidin-3-ol
SMILESCC1CCN(S(=O)(=O)c2sccc2Br)CC1O
InChIInChI=1S/C10H14BrNO3S2/c1-7-2-4-12(6-9(7)13)17(14,15)10-8(11)3-5-16-10/h3,5,7,9,13H,2,4,6H2,1H3
InChIKeyBVUJQFGAHRYWPJ-UHFFFAOYSA-N
MW340.26 g/mol
LogP1.90
Rot. Bonds2

About 1-(3-bromothiophen-2-yl)sulfonyl-4-methylpiperidin-3-ol

1-(3-bromothiophen-2-yl)sulfonyl-4-methylpiperidin-3-ol (PubChem CID 103896811) has the molecular formula C10H14BrNO3S2 and a molecular weight of 340.26 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)sulfonyl-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)sulfonyl-4-methylpiperidin-3-ol
PubChem CID103896811
Molecular FormulaC10H14BrNO3S2
Molecular Weight340.26 g/mol
Exact Mass338.96
IUPAC Name1-(3-bromothiophen-2-yl)sulfonyl-4-methylpiperidin-3-ol
SMILESCC1CCN(S(=O)(=O)c2sccc2Br)CC1O
InChIInChI=1S/C10H14BrNO3S2/c1-7-2-4-12(6-9(7)13)17(14,15)10-8(11)3-5-16-10/h3,5,7,9,13H,2,4,6H2,1H3
InChIKeyBVUJQFGAHRYWPJ-UHFFFAOYSA-N
XLogP1.90
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(3-bromothiophen-2-yl)sulfonylpyrrolidin-3-ol
CID 66291405
1-(3-bromothiophen-2-yl)sulfonylpyrrolidine-3,4-diol
CID 106672713
1-(3-bromothiophen-2-yl)sulfonylazetidin-3-ol
CID 63104958
1-(3-bromothiophen-2-yl)sulfonylpiperidine-3,4-dicarboxylic acid
CID 115917687
1-(3-bromothiophen-2-yl)sulfonyl-N-methylpyrrolidin-3-amine
CID 115300299
(3S)-1-(3-bromothiophen-2-yl)sulfonylpyrrolidin-3-amine
CID 115302272
(3S)-1-(3-bromothiophen-2-yl)sulfonyl-3-methylpiperazine
CID 104976618
(2S,6R)-4-(3-bromothiophen-2-yl)sulfonyl-2,6-dimethylmorpholine
CID 103931361
N-[1-(3-bromothiophen-2-yl)sulfonylpiperidin-4-yl]acetamide
CID 113228721
(3R)-1-(3-bromothiophen-2-yl)sulfonylpiperidine-3-carboxylic acid
CID 81120170
3-(bromomethyl)-1-(3-bromothiophen-2-yl)sulfonylpiperidine
CID 80673187
N-[1-(3-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-2-methylpropanamide
CID 61073192

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)sulfonyl-4-methylpiperidin-3-ol?
The IUPAC name of 1-(3-bromothiophen-2-yl)sulfonyl-4-methylpiperidin-3-ol (CID 103896811) is 1-(3-bromothiophen-2-yl)sulfonyl-4-methylpiperidin-3-ol.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)sulfonyl-4-methylpiperidin-3-ol?
The canonical SMILES for 1-(3-bromothiophen-2-yl)sulfonyl-4-methylpiperidin-3-ol is CC1CCN(S(=O)(=O)c2sccc2Br)CC1O.
What is the InChIKey of 1-(3-bromothiophen-2-yl)sulfonyl-4-methylpiperidin-3-ol?
The InChIKey is BVUJQFGAHRYWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO3S2/c1-7-2-4-12(6-9(7)13)17(14,15)10-8(11)3-5-16-10/h3,5,7,9,13H,2,4,6H2,1H3.
What are the key properties of 1-(3-bromothiophen-2-yl)sulfonyl-4-methylpiperidin-3-ol?
1-(3-bromothiophen-2-yl)sulfonyl-4-methylpiperidin-3-ol has a molecular weight of 340.26 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)sulfonyl-4-methylpiperidin-3-ol is sourced from PubChem (CID 103896811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).