3-(4-propylsulfanylphenyl)-3-pyrrolidin-1-ylpropan-1-ol

C16H25NOS — CID 83935710

IUPAC3-(4-propylsulfanylphenyl)-3-pyrrolidin-1-ylpropan-1-ol
SMILESCCCSc1ccc(C(CCO)N2CCCC2)cc1
InChIInChI=1S/C16H25NOS/c1-2-13-19-15-7-5-14(6-8-15)16(9-12-18)17-10-3-4-11-17/h5-8,16,18H,2-4,9-13H2,1H3
InChIKeyIDPDMTGNSHHSPG-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.71
Rot. Bonds7

About 3-(4-propylsulfanylphenyl)-3-pyrrolidin-1-ylpropan-1-ol

3-(4-propylsulfanylphenyl)-3-pyrrolidin-1-ylpropan-1-ol (PubChem CID 83935710) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is 3-(4-propylsulfanylphenyl)-3-pyrrolidin-1-ylpropan-1-ol.

Molecular Properties

Compound Name3-(4-propylsulfanylphenyl)-3-pyrrolidin-1-ylpropan-1-ol
PubChem CID83935710
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC Name3-(4-propylsulfanylphenyl)-3-pyrrolidin-1-ylpropan-1-ol
SMILESCCCSc1ccc(C(CCO)N2CCCC2)cc1
InChIInChI=1S/C16H25NOS/c1-2-13-19-15-7-5-14(6-8-15)16(9-12-18)17-10-3-4-11-17/h5-8,16,18H,2-4,9-13H2,1H3
InChIKeyIDPDMTGNSHHSPG-UHFFFAOYSA-N
XLogP3.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(4-ethylsulfanylphenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171189770
3-phenyl-3-pyrrolidin-1-ylpropan-1-ol
CID 83936530
(3R)-3-(4-methylsulfanylphenyl)-3-piperazin-1-ylpropan-1-ol
CID 96846750
4-(3-hydroxy-1-pyrrolidin-1-ylpropyl)-2-methylphenol
CID 83922970
(3S)-3-piperazin-1-yl-3-(4-pyrrolidin-1-ylphenyl)propan-1-ol
CID 171189780
2-(4-ethylphenyl)-2-piperidin-1-ylethanol
CID 54775819
3-(5-propylthiophen-2-yl)-3-pyrrolidin-1-ylpropan-1-ol
CID 83929515
4-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]phenol
CID 171188975
3-(3-methylsulfonylphenyl)-3-pyrrolidin-1-ylpropan-1-ol
CID 83926435
2-(4-tert-butylphenyl)-2-pyrrolidin-1-ylethanol
CID 82086606
(3R)-3-(4-fluorophenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171173429
4-(4-ethylphenyl)-4-pyrrolidin-1-ylbutan-1-amine
CID 112501186

Frequently Asked Questions

What is the IUPAC name of 3-(4-propylsulfanylphenyl)-3-pyrrolidin-1-ylpropan-1-ol?
The IUPAC name of 3-(4-propylsulfanylphenyl)-3-pyrrolidin-1-ylpropan-1-ol (CID 83935710) is 3-(4-propylsulfanylphenyl)-3-pyrrolidin-1-ylpropan-1-ol.
What is the SMILES notation for 3-(4-propylsulfanylphenyl)-3-pyrrolidin-1-ylpropan-1-ol?
The canonical SMILES for 3-(4-propylsulfanylphenyl)-3-pyrrolidin-1-ylpropan-1-ol is CCCSc1ccc(C(CCO)N2CCCC2)cc1.
What is the InChIKey of 3-(4-propylsulfanylphenyl)-3-pyrrolidin-1-ylpropan-1-ol?
The InChIKey is IDPDMTGNSHHSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS/c1-2-13-19-15-7-5-14(6-8-15)16(9-12-18)17-10-3-4-11-17/h5-8,16,18H,2-4,9-13H2,1H3.
What are the key properties of 3-(4-propylsulfanylphenyl)-3-pyrrolidin-1-ylpropan-1-ol?
3-(4-propylsulfanylphenyl)-3-pyrrolidin-1-ylpropan-1-ol has a molecular weight of 279.45 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propylsulfanylphenyl)-3-pyrrolidin-1-ylpropan-1-ol is sourced from PubChem (CID 83935710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).