(2S)-2-amino-1-[(2R)-2-(2-methylphenyl)morpholin-4-yl]-4-methylsulfanylbutan-1-one

C16H24N2O2S — CID 124595664

IUPAC(2S)-2-amino-1-[(2R)-2-(2-methylphenyl)morpholin-4-yl]-4-methylsulfanylbutan-1-one
SMILESCSCC[C@H](N)C(=O)N1CCO[C@H](c2ccccc2C)C1
InChIInChI=1S/C16H24N2O2S/c1-12-5-3-4-6-13(12)15-11-18(8-9-20-15)16(19)14(17)7-10-21-2/h3-6,14-15H,7-11,17H2,1-2H3/t14-,15-/m0/s1
InChIKeyQJOGBUHKEGBQFR-GJZGRUSLSA-N
MW308.45 g/mol
LogP1.98
Rot. Bonds5

About (2S)-2-amino-1-[(2R)-2-(2-methylphenyl)morpholin-4-yl]-4-methylsulfanylbutan-1-one

(2S)-2-amino-1-[(2R)-2-(2-methylphenyl)morpholin-4-yl]-4-methylsulfanylbutan-1-one (PubChem CID 124595664) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is (2S)-2-amino-1-[(2R)-2-(2-methylphenyl)morpholin-4-yl]-4-methylsulfanylbutan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-[(2R)-2-(2-methylphenyl)morpholin-4-yl]-4-methylsulfanylbutan-1-one
PubChem CID124595664
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name(2S)-2-amino-1-[(2R)-2-(2-methylphenyl)morpholin-4-yl]-4-methylsulfanylbutan-1-one
SMILESCSCC[C@H](N)C(=O)N1CCO[C@H](c2ccccc2C)C1
InChIInChI=1S/C16H24N2O2S/c1-12-5-3-4-6-13(12)15-11-18(8-9-20-15)16(19)14(17)7-10-21-2/h3-6,14-15H,7-11,17H2,1-2H3/t14-,15-/m0/s1
InChIKeyQJOGBUHKEGBQFR-GJZGRUSLSA-N
XLogP1.98
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-1-[(2R)-2-(2-methylphenyl)morpholin-4-yl]-4-methylsulfanylbutan-1-one with MolForge

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Related Compounds

(2S)-2-amino-1-[2-(2-fluorophenyl)morpholin-4-yl]-4-methylsulfanylbutan-1-one
CID 154750663
(2S)-2-amino-1-[2-(2,4-dimethylphenyl)morpholin-4-yl]-4-methylsulfanylbutan-1-one
CID 75429794
(2S)-2-amino-1-[2-(2,4-dimethylphenyl)morpholin-4-yl]-4-methylsulfanylbutan-1-one;hydrochloride
CID 75429793
ethyl 2-(2-methylphenyl)morpholine-4-carboxylate
CID 71684137
3-amino-3-methyl-1-[2-(2-methylphenyl)morpholin-4-yl]butan-1-one
CID 126789841
(2S)-2-amino-1-[(2S,4R)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-4-methylsulfanylbutan-1-one
CID 124688046
2-(1-aminocyclobutyl)-1-[(2S)-2-(2-methylphenyl)morpholin-4-yl]ethanone
CID 124696262
(2S)-2-amino-1-[3-(2-methoxyphenyl)pyrrolidin-1-yl]-4-methylsulfanylbutan-1-one;hydrochloride
CID 84588633
(2S)-2-amino-1-[(2S)-2-(2-bromophenyl)morpholin-4-yl]propan-1-one
CID 124591971
(2S)-2-amino-1-(2-phenylmorpholin-4-yl)hexan-1-one
CID 103831208
[2-(2-methylphenyl)morpholin-4-yl]-(oxolan-2-yl)methanone
CID 110364459
(2S)-2-amino-4-methylsulfanyl-1-[2-(oxolan-2-yl)morpholin-4-yl]butan-1-one
CID 119344999

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[(2R)-2-(2-methylphenyl)morpholin-4-yl]-4-methylsulfanylbutan-1-one?
The IUPAC name of (2S)-2-amino-1-[(2R)-2-(2-methylphenyl)morpholin-4-yl]-4-methylsulfanylbutan-1-one (CID 124595664) is (2S)-2-amino-1-[(2R)-2-(2-methylphenyl)morpholin-4-yl]-4-methylsulfanylbutan-1-one.
What is the SMILES notation for (2S)-2-amino-1-[(2R)-2-(2-methylphenyl)morpholin-4-yl]-4-methylsulfanylbutan-1-one?
The canonical SMILES for (2S)-2-amino-1-[(2R)-2-(2-methylphenyl)morpholin-4-yl]-4-methylsulfanylbutan-1-one is CSCC[C@H](N)C(=O)N1CCO[C@H](c2ccccc2C)C1.
What is the InChIKey of (2S)-2-amino-1-[(2R)-2-(2-methylphenyl)morpholin-4-yl]-4-methylsulfanylbutan-1-one?
The InChIKey is QJOGBUHKEGBQFR-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-12-5-3-4-6-13(12)15-11-18(8-9-20-15)16(19)14(17)7-10-21-2/h3-6,14-15H,7-11,17H2,1-2H3/t14-,15-/m0/s1.
What are the key properties of (2S)-2-amino-1-[(2R)-2-(2-methylphenyl)morpholin-4-yl]-4-methylsulfanylbutan-1-one?
(2S)-2-amino-1-[(2R)-2-(2-methylphenyl)morpholin-4-yl]-4-methylsulfanylbutan-1-one has a molecular weight of 308.45 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[(2R)-2-(2-methylphenyl)morpholin-4-yl]-4-methylsulfanylbutan-1-one is sourced from PubChem (CID 124595664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).