1-benzyl-4-phenylsulfanylpyrrolidin-3-ol

C17H19NOS — CID 12044050

IUPAC1-benzyl-4-phenylsulfanylpyrrolidin-3-ol
SMILESOC1CN(Cc2ccccc2)CC1Sc1ccccc1
InChIInChI=1S/C17H19NOS/c19-16-12-18(11-14-7-3-1-4-8-14)13-17(16)20-15-9-5-2-6-10-15/h1-10,16-17,19H,11-13H2
InChIKeyISMZSSJQUUXTEI-UHFFFAOYSA-N
MW285.41 g/mol
LogP3.02
Rot. Bonds4

About 1-benzyl-4-phenylsulfanylpyrrolidin-3-ol

1-benzyl-4-phenylsulfanylpyrrolidin-3-ol (PubChem CID 12044050) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is 1-benzyl-4-phenylsulfanylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-benzyl-4-phenylsulfanylpyrrolidin-3-ol
PubChem CID12044050
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC Name1-benzyl-4-phenylsulfanylpyrrolidin-3-ol
SMILESOC1CN(Cc2ccccc2)CC1Sc1ccccc1
InChIInChI=1S/C17H19NOS/c19-16-12-18(11-14-7-3-1-4-8-14)13-17(16)20-15-9-5-2-6-10-15/h1-10,16-17,19H,11-13H2
InChIKeyISMZSSJQUUXTEI-UHFFFAOYSA-N
XLogP3.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[Benzyl(methyl)amino]-3-benzylsulfanylpropan-2-ol
CID 44427659
2-[Benzyl(3-thienylmethyl)amino]ethanol
CID 23910978
1-(Dibenzylamino)-3-(3-phenylpropylsulfanyl)propan-2-ol
CID 70686447
1-(Dibenzylamino)-3-(3,5-dimethylphenyl)sulfanylpropan-2-ol
CID 70688547
1-(Dibenzylamino)-3-phenylsulfanylpropan-2-ol
CID 70690596
1-(Dibenzylamino)-3-(4-fluorophenyl)sulfanylpropan-2-ol
CID 70690597
1-(Dibenzylamino)-3-(4-methylphenyl)sulfanylpropan-2-ol
CID 70692747
1-(Dibenzylamino)-3-(2-ethylphenyl)sulfanylpropan-2-ol
CID 70692748
1-(Dibenzylamino)-3-(2-fluorophenyl)sulfanylpropan-2-ol
CID 70696827
1-[(4-Methylsulfanylphenyl)methyl]piperidin-4-ol
CID 763004
2-[Benzyl-[(4-methylsulfanylphenyl)methyl]amino]ethanol
CID 743420
2-[Benzyl(thiophen-2-ylmethyl)amino]ethanol
CID 782513

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-phenylsulfanylpyrrolidin-3-ol?
The IUPAC name of 1-benzyl-4-phenylsulfanylpyrrolidin-3-ol (CID 12044050) is 1-benzyl-4-phenylsulfanylpyrrolidin-3-ol.
What is the SMILES notation for 1-benzyl-4-phenylsulfanylpyrrolidin-3-ol?
The canonical SMILES for 1-benzyl-4-phenylsulfanylpyrrolidin-3-ol is OC1CN(Cc2ccccc2)CC1Sc1ccccc1.
What is the InChIKey of 1-benzyl-4-phenylsulfanylpyrrolidin-3-ol?
The InChIKey is ISMZSSJQUUXTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c19-16-12-18(11-14-7-3-1-4-8-14)13-17(16)20-15-9-5-2-6-10-15/h1-10,16-17,19H,11-13H2.
What are the key properties of 1-benzyl-4-phenylsulfanylpyrrolidin-3-ol?
1-benzyl-4-phenylsulfanylpyrrolidin-3-ol has a molecular weight of 285.41 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-phenylsulfanylpyrrolidin-3-ol is sourced from PubChem (CID 12044050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).