1-(3-bromothiophen-2-yl)-3-methyl-3-pyrrolidin-1-ylbutan-2-ol

C13H20BrNOS — CID 79055943

IUPAC1-(3-bromothiophen-2-yl)-3-methyl-3-pyrrolidin-1-ylbutan-2-ol
SMILESCC(C)(C(O)Cc1sccc1Br)N1CCCC1
InChIInChI=1S/C13H20BrNOS/c1-13(2,15-6-3-4-7-15)12(16)9-11-10(14)5-8-17-11/h5,8,12,16H,3-4,6-7,9H2,1-2H3
InChIKeyFUAMZSLUFIHKAG-UHFFFAOYSA-N
MW318.28 g/mol
LogP3.29
Rot. Bonds4

About 1-(3-bromothiophen-2-yl)-3-methyl-3-pyrrolidin-1-ylbutan-2-ol

1-(3-bromothiophen-2-yl)-3-methyl-3-pyrrolidin-1-ylbutan-2-ol (PubChem CID 79055943) has the molecular formula C13H20BrNOS and a molecular weight of 318.28 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-3-methyl-3-pyrrolidin-1-ylbutan-2-ol.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-3-methyl-3-pyrrolidin-1-ylbutan-2-ol
PubChem CID79055943
Molecular FormulaC13H20BrNOS
Molecular Weight318.28 g/mol
Exact Mass317.04
IUPAC Name1-(3-bromothiophen-2-yl)-3-methyl-3-pyrrolidin-1-ylbutan-2-ol
SMILESCC(C)(C(O)Cc1sccc1Br)N1CCCC1
InChIInChI=1S/C13H20BrNOS/c1-13(2,15-6-3-4-7-15)12(16)9-11-10(14)5-8-17-11/h5,8,12,16H,3-4,6-7,9H2,1-2H3
InChIKeyFUAMZSLUFIHKAG-UHFFFAOYSA-N
XLogP3.29
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.28
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromothiophen-2-yl)-3-methoxy-3-methylbutan-2-ol
CID 79197988
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CID 79045309
1-(3-bromothiophen-2-yl)-N,3-diethyl-3-pyrrolidin-1-ylpentan-2-amine
CID 79057408
3-(azepan-1-yl)-3-methyl-1-phenylbutan-2-ol
CID 79052263
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methyl-3-piperidin-1-ylbutan-2-ol
CID 79828051
2-(3-bromothiophen-2-yl)-1-(1-methylcyclopentyl)ethanol
CID 115790909
2-(3-bromothiophen-2-yl)-1-cyclohexyl-N-ethylethanamine
CID 63413437
2-(3-bromothiophen-2-yl)-1-cyclobutyl-N-methylethanamine
CID 64986632
1-(3-bromothiophen-2-yl)-3-tert-butylsulfanylpropan-2-amine
CID 65132986
3-methyl-1-(1-methylpyrazol-3-yl)-3-pyrrolidin-1-ylbutan-2-ol
CID 82870128
3-(azepan-1-yl)-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylbutan-2-ol
CID 115333323
2-[(3-bromothiophen-2-yl)methyl]-2-methylpropane-1,3-diol
CID 79450444

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-3-methyl-3-pyrrolidin-1-ylbutan-2-ol?
The IUPAC name of 1-(3-bromothiophen-2-yl)-3-methyl-3-pyrrolidin-1-ylbutan-2-ol (CID 79055943) is 1-(3-bromothiophen-2-yl)-3-methyl-3-pyrrolidin-1-ylbutan-2-ol.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-3-methyl-3-pyrrolidin-1-ylbutan-2-ol?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-3-methyl-3-pyrrolidin-1-ylbutan-2-ol is CC(C)(C(O)Cc1sccc1Br)N1CCCC1.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-3-methyl-3-pyrrolidin-1-ylbutan-2-ol?
The InChIKey is FUAMZSLUFIHKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNOS/c1-13(2,15-6-3-4-7-15)12(16)9-11-10(14)5-8-17-11/h5,8,12,16H,3-4,6-7,9H2,1-2H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-3-methyl-3-pyrrolidin-1-ylbutan-2-ol?
1-(3-bromothiophen-2-yl)-3-methyl-3-pyrrolidin-1-ylbutan-2-ol has a molecular weight of 318.28 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-3-methyl-3-pyrrolidin-1-ylbutan-2-ol is sourced from PubChem (CID 79055943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).