3-(5-propylthiophen-2-yl)-3-pyrrolidin-1-ylpropan-1-ol

C14H23NOS — CID 83929515

IUPAC3-(5-propylthiophen-2-yl)-3-pyrrolidin-1-ylpropan-1-ol
SMILESCCCc1ccc(C(CCO)N2CCCC2)s1
InChIInChI=1S/C14H23NOS/c1-2-5-12-6-7-14(17-12)13(8-11-16)15-9-3-4-10-15/h6-7,13,16H,2-5,8-11H2,1H3
InChIKeySIJOBOKZABHPEM-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.22
Rot. Bonds6

About 3-(5-propylthiophen-2-yl)-3-pyrrolidin-1-ylpropan-1-ol

3-(5-propylthiophen-2-yl)-3-pyrrolidin-1-ylpropan-1-ol (PubChem CID 83929515) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 3-(5-propylthiophen-2-yl)-3-pyrrolidin-1-ylpropan-1-ol.

Molecular Properties

Compound Name3-(5-propylthiophen-2-yl)-3-pyrrolidin-1-ylpropan-1-ol
PubChem CID83929515
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name3-(5-propylthiophen-2-yl)-3-pyrrolidin-1-ylpropan-1-ol
SMILESCCCc1ccc(C(CCO)N2CCCC2)s1
InChIInChI=1S/C14H23NOS/c1-2-5-12-6-7-14(17-12)13(8-11-16)15-9-3-4-10-15/h6-7,13,16H,2-5,8-11H2,1H3
InChIKeySIJOBOKZABHPEM-UHFFFAOYSA-N
XLogP3.22
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-(5-ethylthiophen-2-yl)-3-piperidin-1-ylpropanoate
CID 64541181
3-(4-propylsulfanylphenyl)-3-pyrrolidin-1-ylpropan-1-ol
CID 83935710
3-phenyl-3-pyrrolidin-1-ylpropan-1-ol
CID 83936530
(1R)-N-methyl-1-(5-propylthiophen-2-yl)ethanamine
CID 55277541
1-[(1S)-1-(5-ethylthiophen-2-yl)-4,4,4-trifluorobutyl]piperazine;dihydrochloride
CID 171302999
1-[(1R)-1-(5-ethylthiophen-2-yl)-4-methylpentyl]piperazine;dihydrochloride
CID 171311160
2-(5-ethylthiophen-2-yl)-2-(1,4-oxazepan-4-yl)ethanamine
CID 55154271
2,4-diamino-1-(5-propylthiophen-2-yl)butan-1-ol
CID 83929506
4-(3-hydroxy-1-pyrrolidin-1-ylpropyl)-2-methylphenol
CID 83922970
3-(5-methylthiophen-2-yl)-3-pyrrolidin-1-ylpropanoic acid
CID 64527165
3-(azepan-1-yl)-3-(5-methylthiophen-2-yl)propanoic acid
CID 64527523
6-(5-propylthiophen-2-yl)heptane-3,4-diol
CID 83929603

Frequently Asked Questions

What is the IUPAC name of 3-(5-propylthiophen-2-yl)-3-pyrrolidin-1-ylpropan-1-ol?
The IUPAC name of 3-(5-propylthiophen-2-yl)-3-pyrrolidin-1-ylpropan-1-ol (CID 83929515) is 3-(5-propylthiophen-2-yl)-3-pyrrolidin-1-ylpropan-1-ol.
What is the SMILES notation for 3-(5-propylthiophen-2-yl)-3-pyrrolidin-1-ylpropan-1-ol?
The canonical SMILES for 3-(5-propylthiophen-2-yl)-3-pyrrolidin-1-ylpropan-1-ol is CCCc1ccc(C(CCO)N2CCCC2)s1.
What is the InChIKey of 3-(5-propylthiophen-2-yl)-3-pyrrolidin-1-ylpropan-1-ol?
The InChIKey is SIJOBOKZABHPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-2-5-12-6-7-14(17-12)13(8-11-16)15-9-3-4-10-15/h6-7,13,16H,2-5,8-11H2,1H3.
What are the key properties of 3-(5-propylthiophen-2-yl)-3-pyrrolidin-1-ylpropan-1-ol?
3-(5-propylthiophen-2-yl)-3-pyrrolidin-1-ylpropan-1-ol has a molecular weight of 253.41 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-propylthiophen-2-yl)-3-pyrrolidin-1-ylpropan-1-ol is sourced from PubChem (CID 83929515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).