propyl 5-(1-hydroxy-3-pyrrolidin-1-ylpropyl)thiophene-2-carboxylate

C15H23NO3S — CID 82074130

IUPACpropyl 5-(1-hydroxy-3-pyrrolidin-1-ylpropyl)thiophene-2-carboxylate
SMILESCCCOC(=O)c1ccc(C(O)CCN2CCCC2)s1
InChIInChI=1S/C15H23NO3S/c1-2-11-19-15(18)14-6-5-13(20-14)12(17)7-10-16-8-3-4-9-16/h5-6,12,17H,2-4,7-11H2,1H3
InChIKeyVTRVIRVCLXFFGW-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.83
Rot. Bonds7

About propyl 5-(1-hydroxy-3-pyrrolidin-1-ylpropyl)thiophene-2-carboxylate

propyl 5-(1-hydroxy-3-pyrrolidin-1-ylpropyl)thiophene-2-carboxylate (PubChem CID 82074130) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is propyl 5-(1-hydroxy-3-pyrrolidin-1-ylpropyl)thiophene-2-carboxylate.

Molecular Properties

Compound Namepropyl 5-(1-hydroxy-3-pyrrolidin-1-ylpropyl)thiophene-2-carboxylate
PubChem CID82074130
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Namepropyl 5-(1-hydroxy-3-pyrrolidin-1-ylpropyl)thiophene-2-carboxylate
SMILESCCCOC(=O)c1ccc(C(O)CCN2CCCC2)s1
InChIInChI=1S/C15H23NO3S/c1-2-11-19-15(18)14-6-5-13(20-14)12(17)7-10-16-8-3-4-9-16/h5-6,12,17H,2-4,7-11H2,1H3
InChIKeyVTRVIRVCLXFFGW-UHFFFAOYSA-N
XLogP2.83
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-[(1R)-1-hydroxy-3,3-dimethylbutyl]thiophene-2-carboxylate
CID 67484580
1-(3-amino-4-propoxyphenyl)-3-piperidin-1-ylpropan-1-ol
CID 82135922
ethyl 5-piperidin-1-ylthiophene-2-carboxylate
CID 69360756
ethyl 2-amino-3-hydroxy-3-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]propanoate
CID 18940427
propyl 4-amino-3-(2-pyrrolidin-1-ylethoxy)benzoate
CID 82057522
1-(5-tert-butyl-2-propoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol
CID 82074289
5-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)thiophene-2-carboxylic acid
CID 171865696
3-(azepan-1-yl)-1-[4-[3-(azepan-1-yl)-1-hydroxypropyl]phenyl]propan-1-ol
CID 3774419
1-(3,4-diethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol
CID 82073667
ethyl 5-(3-cyano-1,2-dihydroxypropyl)thiophene-2-carboxylate
CID 171901244
ethyl 2-(ethylamino)-4-pyrrolidin-1-ylbutanoate
CID 63029527
ethyl (2S)-2-piperidin-1-yl-2-thiophen-2-ylacetate
CID 97355402

Frequently Asked Questions

What is the IUPAC name of propyl 5-(1-hydroxy-3-pyrrolidin-1-ylpropyl)thiophene-2-carboxylate?
The IUPAC name of propyl 5-(1-hydroxy-3-pyrrolidin-1-ylpropyl)thiophene-2-carboxylate (CID 82074130) is propyl 5-(1-hydroxy-3-pyrrolidin-1-ylpropyl)thiophene-2-carboxylate.
What is the SMILES notation for propyl 5-(1-hydroxy-3-pyrrolidin-1-ylpropyl)thiophene-2-carboxylate?
The canonical SMILES for propyl 5-(1-hydroxy-3-pyrrolidin-1-ylpropyl)thiophene-2-carboxylate is CCCOC(=O)c1ccc(C(O)CCN2CCCC2)s1.
What is the InChIKey of propyl 5-(1-hydroxy-3-pyrrolidin-1-ylpropyl)thiophene-2-carboxylate?
The InChIKey is VTRVIRVCLXFFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-2-11-19-15(18)14-6-5-13(20-14)12(17)7-10-16-8-3-4-9-16/h5-6,12,17H,2-4,7-11H2,1H3.
What are the key properties of propyl 5-(1-hydroxy-3-pyrrolidin-1-ylpropyl)thiophene-2-carboxylate?
propyl 5-(1-hydroxy-3-pyrrolidin-1-ylpropyl)thiophene-2-carboxylate has a molecular weight of 297.42 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 5-(1-hydroxy-3-pyrrolidin-1-ylpropyl)thiophene-2-carboxylate is sourced from PubChem (CID 82074130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).