1-(4-bromothiophen-2-yl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-ol

C15H24BrNOS — CID 79067815

IUPAC1-(4-bromothiophen-2-yl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-ol
SMILESCCC(CC)(C(O)Cc1cc(Br)cs1)N1CCCC1
InChIInChI=1S/C15H24BrNOS/c1-3-15(4-2,17-7-5-6-8-17)14(18)10-13-9-12(16)11-19-13/h9,11,14,18H,3-8,10H2,1-2H3
InChIKeyKGOAQIRNBLYZGX-UHFFFAOYSA-N
MW346.33 g/mol
LogP4.07
Rot. Bonds6

About 1-(4-bromothiophen-2-yl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-ol

1-(4-bromothiophen-2-yl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-ol (PubChem CID 79067815) has the molecular formula C15H24BrNOS and a molecular weight of 346.33 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-ol.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-ol
PubChem CID79067815
Molecular FormulaC15H24BrNOS
Molecular Weight346.33 g/mol
Exact Mass345.08
IUPAC Name1-(4-bromothiophen-2-yl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-ol
SMILESCCC(CC)(C(O)Cc1cc(Br)cs1)N1CCCC1
InChIInChI=1S/C15H24BrNOS/c1-3-15(4-2,17-7-5-6-8-17)14(18)10-13-9-12(16)11-19-13/h9,11,14,18H,3-8,10H2,1-2H3
InChIKeyKGOAQIRNBLYZGX-UHFFFAOYSA-N
XLogP4.07
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.33
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromothiophen-2-yl)-3-methyl-3-piperidin-1-ylpentan-2-ol
CID 79064832
1-(4-bromothiophen-2-yl)-3-methyl-3-piperidin-1-ylbutan-2-ol
CID 79045309
1-(4-bromothiophen-2-yl)-3-ethoxy-3-ethylpentan-2-ol
CID 116752512
1-(4-bromothiophen-2-yl)-3-methyl-3-piperidin-1-yl-N-propylbutan-2-amine
CID 79052191
1-(3-chloro-4-fluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-ol
CID 103039644
2-(4-bromothiophen-2-yl)-1-(1-ethoxycyclopentyl)ethanol
CID 116753085
5-ethyl-1,1,1-trifluoro-5-pyrrolidin-1-ylheptan-4-ol
CID 79067574
2-[(4-bromothiophen-2-yl)methyl]butan-1-ol
CID 66059833
2-(4-bromothiophen-2-yl)-1-(2-methylcyclopentyl)ethanol
CID 107192192
1-(4-bromothiophen-2-yl)-4,5,5-trimethylhexan-2-ol
CID 115790391
1-(4-bromothiophen-2-yl)-3-ethylsulfanylpropan-2-ol
CID 65130914
2-(4-bromothiophen-2-yl)-1-[1-(dimethylamino)cyclohexyl]ethanol
CID 79066491

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-ol?
The IUPAC name of 1-(4-bromothiophen-2-yl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-ol (CID 79067815) is 1-(4-bromothiophen-2-yl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-ol.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-ol?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-ol is CCC(CC)(C(O)Cc1cc(Br)cs1)N1CCCC1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-ol?
The InChIKey is KGOAQIRNBLYZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNOS/c1-3-15(4-2,17-7-5-6-8-17)14(18)10-13-9-12(16)11-19-13/h9,11,14,18H,3-8,10H2,1-2H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-ol?
1-(4-bromothiophen-2-yl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-ol has a molecular weight of 346.33 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-ol is sourced from PubChem (CID 79067815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).