(2S)-2-amino-1-(2,6-dimethylthiomorpholin-4-yl)pentan-1-one

C11H22N2OS — CID 107569802

IUPAC(2S)-2-amino-1-(2,6-dimethylthiomorpholin-4-yl)pentan-1-one
SMILESCCC[C@H](N)C(=O)N1CC(C)SC(C)C1
InChIInChI=1S/C11H22N2OS/c1-4-5-10(12)11(14)13-6-8(2)15-9(3)7-13/h8-10H,4-7,12H2,1-3H3/t8?,9?,10-/m0/s1
InChIKeyGUELJAYSQLZCBR-RTBKNWGFSA-N
MW230.38 g/mol
LogP1.47
Rot. Bonds3

About (2S)-2-amino-1-(2,6-dimethylthiomorpholin-4-yl)pentan-1-one

(2S)-2-amino-1-(2,6-dimethylthiomorpholin-4-yl)pentan-1-one (PubChem CID 107569802) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is (2S)-2-amino-1-(2,6-dimethylthiomorpholin-4-yl)pentan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-(2,6-dimethylthiomorpholin-4-yl)pentan-1-one
PubChem CID107569802
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC Name(2S)-2-amino-1-(2,6-dimethylthiomorpholin-4-yl)pentan-1-one
SMILESCCC[C@H](N)C(=O)N1CC(C)SC(C)C1
InChIInChI=1S/C11H22N2OS/c1-4-5-10(12)11(14)13-6-8(2)15-9(3)7-13/h8-10H,4-7,12H2,1-3H3/t8?,9?,10-/m0/s1
InChIKeyGUELJAYSQLZCBR-RTBKNWGFSA-N
XLogP1.47
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(3,4-dimethylpyrrolidin-1-yl)pentan-1-one
CID 79181119
(2R)-2-amino-1-(3,4-dihydroxypyrrolidin-1-yl)pentan-1-one
CID 107570937
2-(aminomethyl)-1-(2,6-dimethylthiomorpholin-4-yl)pentan-1-one
CID 65228076
2-amino-1-(2,6-dimethylmorpholin-4-yl)pentan-1-one
CID 43649994
2-amino-1-(2,6-dimethylmorpholin-4-yl)pentan-1-one;hydrochloride
CID 119261693
(2S)-2-amino-1-(2,6-dimethylthiomorpholin-4-yl)-4-phenylbutan-1-one
CID 104984443
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-aminopentan-1-one;hydrochloride
CID 119326391
1-(2,6-dimethylthiomorpholin-4-yl)-2-methylpropan-1-one
CID 64593407
2-amino-1-(3-methylpiperidin-1-yl)pentan-1-one
CID 43649995
(2R)-2-amino-1-(2,6-dimethylthiomorpholin-4-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 104905205
1-(2,6-dimethylthiomorpholin-4-yl)-2-hydroxypropan-1-one
CID 130626316
2-amino-1-(azocan-1-yl)pentan-1-one;hydrochloride
CID 119264220

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(2,6-dimethylthiomorpholin-4-yl)pentan-1-one?
The IUPAC name of (2S)-2-amino-1-(2,6-dimethylthiomorpholin-4-yl)pentan-1-one (CID 107569802) is (2S)-2-amino-1-(2,6-dimethylthiomorpholin-4-yl)pentan-1-one.
What is the SMILES notation for (2S)-2-amino-1-(2,6-dimethylthiomorpholin-4-yl)pentan-1-one?
The canonical SMILES for (2S)-2-amino-1-(2,6-dimethylthiomorpholin-4-yl)pentan-1-one is CCC[C@H](N)C(=O)N1CC(C)SC(C)C1.
What is the InChIKey of (2S)-2-amino-1-(2,6-dimethylthiomorpholin-4-yl)pentan-1-one?
The InChIKey is GUELJAYSQLZCBR-RTBKNWGFSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-4-5-10(12)11(14)13-6-8(2)15-9(3)7-13/h8-10H,4-7,12H2,1-3H3/t8?,9?,10-/m0/s1.
What are the key properties of (2S)-2-amino-1-(2,6-dimethylthiomorpholin-4-yl)pentan-1-one?
(2S)-2-amino-1-(2,6-dimethylthiomorpholin-4-yl)pentan-1-one has a molecular weight of 230.38 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(2,6-dimethylthiomorpholin-4-yl)pentan-1-one is sourced from PubChem (CID 107569802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).