(3R)-3-[(2R)-1-benzylazetidin-2-yl]-3-phenylsulfanylpropan-1-ol

C19H23NOS — CID 132517220

IUPAC(3R)-3-[(2R)-1-benzylazetidin-2-yl]-3-phenylsulfanylpropan-1-ol
SMILESOCC[C@@H](Sc1ccccc1)[C@H]1CCN1Cc1ccccc1
InChIInChI=1S/C19H23NOS/c21-14-12-19(22-17-9-5-2-6-10-17)18-11-13-20(18)15-16-7-3-1-4-8-16/h1-10,18-19,21H,11-15H2/t18-,19-/m1/s1
InChIKeySZCNFSDQIDFHSZ-RTBURBONSA-N
MW313.47 g/mol
LogP3.80
Rot. Bonds7

About (3R)-3-[(2R)-1-benzylazetidin-2-yl]-3-phenylsulfanylpropan-1-ol

(3R)-3-[(2R)-1-benzylazetidin-2-yl]-3-phenylsulfanylpropan-1-ol (PubChem CID 132517220) has the molecular formula C19H23NOS and a molecular weight of 313.47 g/mol. Its IUPAC name is (3R)-3-[(2R)-1-benzylazetidin-2-yl]-3-phenylsulfanylpropan-1-ol.

Molecular Properties

Compound Name(3R)-3-[(2R)-1-benzylazetidin-2-yl]-3-phenylsulfanylpropan-1-ol
PubChem CID132517220
Molecular FormulaC19H23NOS
Molecular Weight313.47 g/mol
Exact Mass313.15
IUPAC Name(3R)-3-[(2R)-1-benzylazetidin-2-yl]-3-phenylsulfanylpropan-1-ol
SMILESOCC[C@@H](Sc1ccccc1)[C@H]1CCN1Cc1ccccc1
InChIInChI=1S/C19H23NOS/c21-14-12-19(22-17-9-5-2-6-10-17)18-11-13-20(18)15-16-7-3-1-4-8-16/h1-10,18-19,21H,11-15H2/t18-,19-/m1/s1
InChIKeySZCNFSDQIDFHSZ-RTBURBONSA-N
XLogP3.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-[(2R)-1-benzylpiperidin-2-yl]-3-(cyclopropylamino)propan-1-ol
CID 97169769
(3S)-3-[(2R)-1-benzylpiperidin-2-yl]-3-(ethylamino)propan-1-ol
CID 97177449
(1-benzylpyrrolidin-2-yl)methanediol;hydrochloride
CID 22235333
[(2S,4R)-1-benzyl-2-cyclopropylpiperidin-4-yl]methanol
CID 176706114
(2R,3S)-1-benzyl-2-(hydroxymethyl)pyrrolidin-3-ol
CID 10998222
2-amino-2-(1-benzylpiperidin-2-yl)ethanol
CID 83982295
(1-benzylpiperidin-2-yl)-phenylmethanol
CID 14816704
(1-benzyl-3-methylpyrrolidin-2-yl)methanol
CID 78022490
[(2R)-1-benzylazetidin-2-yl]-diphenylmethanol
CID 12035662
4,4,4-trifluoro-3-phenylsulfanylbutan-1-ol
CID 102489892
2-(1-benzylpiperidin-2-yl)propan-1-amine
CID 82390227
(2S)-1-benzyl-2-(dimethoxymethyl)pyrrolidine
CID 11715624

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2R)-1-benzylazetidin-2-yl]-3-phenylsulfanylpropan-1-ol?
The IUPAC name of (3R)-3-[(2R)-1-benzylazetidin-2-yl]-3-phenylsulfanylpropan-1-ol (CID 132517220) is (3R)-3-[(2R)-1-benzylazetidin-2-yl]-3-phenylsulfanylpropan-1-ol.
What is the SMILES notation for (3R)-3-[(2R)-1-benzylazetidin-2-yl]-3-phenylsulfanylpropan-1-ol?
The canonical SMILES for (3R)-3-[(2R)-1-benzylazetidin-2-yl]-3-phenylsulfanylpropan-1-ol is OCC[C@@H](Sc1ccccc1)[C@H]1CCN1Cc1ccccc1.
What is the InChIKey of (3R)-3-[(2R)-1-benzylazetidin-2-yl]-3-phenylsulfanylpropan-1-ol?
The InChIKey is SZCNFSDQIDFHSZ-RTBURBONSA-N. The full InChI is InChI=1S/C19H23NOS/c21-14-12-19(22-17-9-5-2-6-10-17)18-11-13-20(18)15-16-7-3-1-4-8-16/h1-10,18-19,21H,11-15H2/t18-,19-/m1/s1.
What are the key properties of (3R)-3-[(2R)-1-benzylazetidin-2-yl]-3-phenylsulfanylpropan-1-ol?
(3R)-3-[(2R)-1-benzylazetidin-2-yl]-3-phenylsulfanylpropan-1-ol has a molecular weight of 313.47 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2R)-1-benzylazetidin-2-yl]-3-phenylsulfanylpropan-1-ol is sourced from PubChem (CID 132517220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).