(2R)-2-amino-4-phenyl-1-sulfanylpentan-3-one

C11H15NOS — CID 172995956

IUPAC(2R)-2-amino-4-phenyl-1-sulfanylpentan-3-one
SMILESCC(C(=O)[C@@H](N)CS)c1ccccc1
InChIInChI=1S/C11H15NOS/c1-8(11(13)10(12)7-14)9-5-3-2-4-6-9/h2-6,8,10,14H,7,12H2,1H3/t8?,10-/m0/s1
InChIKeyXNCAJPLIAVMFIL-HTLJXXAVSA-N
MW209.31 g/mol
LogP1.62
Rot. Bonds4

About (2R)-2-amino-4-phenyl-1-sulfanylpentan-3-one

(2R)-2-amino-4-phenyl-1-sulfanylpentan-3-one (PubChem CID 172995956) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is (2R)-2-amino-4-phenyl-1-sulfanylpentan-3-one.

Molecular Properties

Compound Name(2R)-2-amino-4-phenyl-1-sulfanylpentan-3-one
PubChem CID172995956
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name(2R)-2-amino-4-phenyl-1-sulfanylpentan-3-one
SMILESCC(C(=O)[C@@H](N)CS)c1ccccc1
InChIInChI=1S/C11H15NOS/c1-8(11(13)10(12)7-14)9-5-3-2-4-6-9/h2-6,8,10,14H,7,12H2,1H3/t8?,10-/m0/s1
InChIKeyXNCAJPLIAVMFIL-HTLJXXAVSA-N
XLogP1.62
TPSA43.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2,5-diamino-3-benzyl-4-oxo-6-sulfanylhexanoic acid
CID 174958001
1,1-dimethoxy-3-phenylbutan-2-one
CID 141011761
3-amino-4-phenyl-4-sulfanylbutan-2-one
CID 159734825
ethyl (2S)-2-phenylpropanoate
CID 7204861
2-phenylpropanoic acid;hydrate
CID 139796091
methane;(2R)-2-phenylpropanoic acid
CID 162174165
2-phenylpropanoic acid;dihydrochloride
CID 162109025
molecular hydrogen;(2S)-2-phenylpropanamide
CID 143947719
ethane-1,2-diol;2-phenylpropanoic acid
CID 175461834
phenyl 2-amino-3-sulfanylpropanoate
CID 19387766
2-methyl-3-phenyl-4-sulfanylbutanoic acid
CID 174651583
(1R)-1-amino-4-methyl-1-phenylpentan-3-one
CID 58688874

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-phenyl-1-sulfanylpentan-3-one?
The IUPAC name of (2R)-2-amino-4-phenyl-1-sulfanylpentan-3-one (CID 172995956) is (2R)-2-amino-4-phenyl-1-sulfanylpentan-3-one.
What is the SMILES notation for (2R)-2-amino-4-phenyl-1-sulfanylpentan-3-one?
The canonical SMILES for (2R)-2-amino-4-phenyl-1-sulfanylpentan-3-one is CC(C(=O)[C@@H](N)CS)c1ccccc1.
What is the InChIKey of (2R)-2-amino-4-phenyl-1-sulfanylpentan-3-one?
The InChIKey is XNCAJPLIAVMFIL-HTLJXXAVSA-N. The full InChI is InChI=1S/C11H15NOS/c1-8(11(13)10(12)7-14)9-5-3-2-4-6-9/h2-6,8,10,14H,7,12H2,1H3/t8?,10-/m0/s1.
What are the key properties of (2R)-2-amino-4-phenyl-1-sulfanylpentan-3-one?
(2R)-2-amino-4-phenyl-1-sulfanylpentan-3-one has a molecular weight of 209.31 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-phenyl-1-sulfanylpentan-3-one is sourced from PubChem (CID 172995956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).