lithium [(2R)-1-hydroxy-3-phenylpropan-2-yl]-(2-methyl-2-phenylsulfanylpropanoyl)azanide

C19H22LiNO2S — CID 143161525

IUPAClithium [(2R)-1-hydroxy-3-phenylpropan-2-yl]-(2-methyl-2-phenylsulfanylpropanoyl)azanide
SMILESCC(C)(Sc1ccccc1)C(=O)[N-][C@@H](CO)Cc1ccccc1.[Li+]
InChIInChI=1S/C19H23NO2S.Li/c1-19(2,23-17-11-7-4-8-12-17)18(22)20-16(14-21)13-15-9-5-3-6-10-15;/h3-12,16,21H,13-14H2,1-2H3,(H,20,22);/q;+1/p-1/t16-;/m1./s1
InChIKeySIVGWMMACLYNBB-PKLMIRHRSA-M
MW335.40 g/mol
LogP1.07
Rot. Bonds7

About lithium [(2R)-1-hydroxy-3-phenylpropan-2-yl]-(2-methyl-2-phenylsulfanylpropanoyl)azanide

lithium [(2R)-1-hydroxy-3-phenylpropan-2-yl]-(2-methyl-2-phenylsulfanylpropanoyl)azanide (PubChem CID 143161525) has the molecular formula C19H22LiNO2S and a molecular weight of 335.40 g/mol. Its IUPAC name is lithium [(2R)-1-hydroxy-3-phenylpropan-2-yl]-(2-methyl-2-phenylsulfanylpropanoyl)azanide.

Molecular Properties

Compound Namelithium [(2R)-1-hydroxy-3-phenylpropan-2-yl]-(2-methyl-2-phenylsulfanylpropanoyl)azanide
PubChem CID143161525
Molecular FormulaC19H22LiNO2S
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Namelithium [(2R)-1-hydroxy-3-phenylpropan-2-yl]-(2-methyl-2-phenylsulfanylpropanoyl)azanide
SMILESCC(C)(Sc1ccccc1)C(=O)[N-][C@@H](CO)Cc1ccccc1.[Li+]
InChIInChI=1S/C19H23NO2S.Li/c1-19(2,23-17-11-7-4-8-12-17)18(22)20-16(14-21)13-15-9-5-3-6-10-15;/h3-12,16,21H,13-14H2,1-2H3,(H,20,22);/q;+1/p-1/t16-;/m1./s1
InChIKeySIVGWMMACLYNBB-PKLMIRHRSA-M
XLogP1.07
TPSA51.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-2-methyl-2-phenylsulfanylpropanamide
CID 11602612
2-methyl-2-phenylsulfanylpentan-3-one
CID 13353123
(2R)-2-tert-butylsulfonyl-3-phenylpropan-1-ol
CID 102426580
S-tert-butyl 2-benzyl-3-oxobutanethioate
CID 11065333
tert-butyl-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamic acid
CID 68898508
(1-hydroxy-3-phenylpropan-2-yl)-propylazanide;rubidium(1+)
CID 59894889
(2S)-2-benzyl-3,3-dimethylbutan-1-ol
CID 11805570
3-phenyl-2-phenylsulfanylpropan-1-ol
CID 14744646
(3S)-3-chloro-4-phenylbutan-2-one
CID 93194172
2,3-dimethylbut-3-en-2-ylsulfanylbenzene
CID 14947992
S-phenyl 2-benzyl-5,5-dimethyl-3-oxohexanethioate
CID 102391928
(2S)-2-amino-3-phenylpropanoic acid;niobium
CID 175055112

Frequently Asked Questions

What is the IUPAC name of lithium [(2R)-1-hydroxy-3-phenylpropan-2-yl]-(2-methyl-2-phenylsulfanylpropanoyl)azanide?
The IUPAC name of lithium [(2R)-1-hydroxy-3-phenylpropan-2-yl]-(2-methyl-2-phenylsulfanylpropanoyl)azanide (CID 143161525) is lithium [(2R)-1-hydroxy-3-phenylpropan-2-yl]-(2-methyl-2-phenylsulfanylpropanoyl)azanide.
What is the SMILES notation for lithium [(2R)-1-hydroxy-3-phenylpropan-2-yl]-(2-methyl-2-phenylsulfanylpropanoyl)azanide?
The canonical SMILES for lithium [(2R)-1-hydroxy-3-phenylpropan-2-yl]-(2-methyl-2-phenylsulfanylpropanoyl)azanide is CC(C)(Sc1ccccc1)C(=O)[N-][C@@H](CO)Cc1ccccc1.[Li+].
What is the InChIKey of lithium [(2R)-1-hydroxy-3-phenylpropan-2-yl]-(2-methyl-2-phenylsulfanylpropanoyl)azanide?
The InChIKey is SIVGWMMACLYNBB-PKLMIRHRSA-M. The full InChI is InChI=1S/C19H23NO2S.Li/c1-19(2,23-17-11-7-4-8-12-17)18(22)20-16(14-21)13-15-9-5-3-6-10-15;/h3-12,16,21H,13-14H2,1-2H3,(H,20,22);/q;+1/p-1/t16-;/m1./s1.
What are the key properties of lithium [(2R)-1-hydroxy-3-phenylpropan-2-yl]-(2-methyl-2-phenylsulfanylpropanoyl)azanide?
lithium [(2R)-1-hydroxy-3-phenylpropan-2-yl]-(2-methyl-2-phenylsulfanylpropanoyl)azanide has a molecular weight of 335.40 g/mol, XLogP of 1.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium [(2R)-1-hydroxy-3-phenylpropan-2-yl]-(2-methyl-2-phenylsulfanylpropanoyl)azanide is sourced from PubChem (CID 143161525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).