2-amino-N-(1-methylsulfinylpropan-2-yl)-3-phenylpropanamide

C13H20N2O2S — CID 113486466

IUPAC2-amino-N-(1-methylsulfinylpropan-2-yl)-3-phenylpropanamide
SMILESCC(CS(C)=O)NC(=O)C(N)Cc1ccccc1
InChIInChI=1S/C13H20N2O2S/c1-10(9-18(2)17)15-13(16)12(14)8-11-6-4-3-5-7-11/h3-7,10,12H,8-9,14H2,1-2H3,(H,15,16)
InChIKeyWLWLCYSEAGDGHX-UHFFFAOYSA-N
MW268.38 g/mol
LogP0.44
Rot. Bonds6

About 2-amino-N-(1-methylsulfinylpropan-2-yl)-3-phenylpropanamide

2-amino-N-(1-methylsulfinylpropan-2-yl)-3-phenylpropanamide (PubChem CID 113486466) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-amino-N-(1-methylsulfinylpropan-2-yl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-(1-methylsulfinylpropan-2-yl)-3-phenylpropanamide
PubChem CID113486466
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name2-amino-N-(1-methylsulfinylpropan-2-yl)-3-phenylpropanamide
SMILESCC(CS(C)=O)NC(=O)C(N)Cc1ccccc1
InChIInChI=1S/C13H20N2O2S/c1-10(9-18(2)17)15-13(16)12(14)8-11-6-4-3-5-7-11/h3-7,10,12H,8-9,14H2,1-2H3,(H,15,16)
InChIKeyWLWLCYSEAGDGHX-UHFFFAOYSA-N
XLogP0.44
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-butan-2-yl-3-phenylpropanamide
CID 78985447
2-amino-3-phenyl-N-propan-2-ylpropanamide
CID 15926064
2-amino-3-phenyl-N-(1-phenylethyl)propanamide
CID 24709310
[(1R)-1-[[(2S)-2-amino-3-phenylpropanoyl]amino]ethyl]boronic acid
CID 74765736
(2R)-2-amino-N-pent-4-en-2-yl-3-phenylpropanamide
CID 103797386
2-[(2-amino-3-phenylpropanoyl)amino]-4-methylsulfinylbutanoic acid
CID 91746319
(2R)-2-amino-N-(3-methylsulfinylpropyl)-3-phenylpropanamide
CID 103796473
2-amino-N-(1-ethylsulfanylpropan-2-yl)-3-phenylpropanamide
CID 113264230
(2S)-2-amino-N-(4-methylsulfinylbutan-2-yl)-4-phenylbutanamide
CID 104984835
(2S)-2-amino-N-(1-cyclopropylpropan-2-yl)-3-phenylpropanamide
CID 78955758
2-amino-N-octan-2-yl-3-phenylpropanamide
CID 43711429
(2R)-2-amino-N-octan-2-yl-3-phenylpropanamide
CID 78985477

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-methylsulfinylpropan-2-yl)-3-phenylpropanamide?
The IUPAC name of 2-amino-N-(1-methylsulfinylpropan-2-yl)-3-phenylpropanamide (CID 113486466) is 2-amino-N-(1-methylsulfinylpropan-2-yl)-3-phenylpropanamide.
What is the SMILES notation for 2-amino-N-(1-methylsulfinylpropan-2-yl)-3-phenylpropanamide?
The canonical SMILES for 2-amino-N-(1-methylsulfinylpropan-2-yl)-3-phenylpropanamide is CC(CS(C)=O)NC(=O)C(N)Cc1ccccc1.
What is the InChIKey of 2-amino-N-(1-methylsulfinylpropan-2-yl)-3-phenylpropanamide?
The InChIKey is WLWLCYSEAGDGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-10(9-18(2)17)15-13(16)12(14)8-11-6-4-3-5-7-11/h3-7,10,12H,8-9,14H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-N-(1-methylsulfinylpropan-2-yl)-3-phenylpropanamide?
2-amino-N-(1-methylsulfinylpropan-2-yl)-3-phenylpropanamide has a molecular weight of 268.38 g/mol, XLogP of 0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-methylsulfinylpropan-2-yl)-3-phenylpropanamide is sourced from PubChem (CID 113486466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).