(2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-4-methylsulfanylbutan-1-one;hydrochloride

C11H23ClN2O2S — CID 119294273

IUPAC(2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-4-methylsulfanylbutan-1-one;hydrochloride
SMILESCSCC[C@H](N)C(=O)N1CCOC(C)(C)C1.Cl
InChIInChI=1S/C11H22N2O2S.ClH/c1-11(2)8-13(5-6-15-11)10(14)9(12)4-7-16-3;/h9H,4-8,12H2,1-3H3;1H/t9-;/m0./s1
InChIKeyONOAIWOXNIHHNS-FVGYRXGTSA-N
MW282.84 g/mol
LogP1.13
Rot. Bonds4

About (2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-4-methylsulfanylbutan-1-one;hydrochloride

(2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-4-methylsulfanylbutan-1-one;hydrochloride (PubChem CID 119294273) has the molecular formula C11H23ClN2O2S and a molecular weight of 282.84 g/mol. Its IUPAC name is (2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-4-methylsulfanylbutan-1-one;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-4-methylsulfanylbutan-1-one;hydrochloride
PubChem CID119294273
Molecular FormulaC11H23ClN2O2S
Molecular Weight282.84 g/mol
Exact Mass282.12
IUPAC Name(2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-4-methylsulfanylbutan-1-one;hydrochloride
SMILESCSCC[C@H](N)C(=O)N1CCOC(C)(C)C1.Cl
InChIInChI=1S/C11H22N2O2S.ClH/c1-11(2)8-13(5-6-15-11)10(14)9(12)4-7-16-3;/h9H,4-8,12H2,1-3H3;1H/t9-;/m0./s1
InChIKeyONOAIWOXNIHHNS-FVGYRXGTSA-N
XLogP1.13
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.84
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-4-methylsulfanylbutan-1-one;hydrochloride with MolForge

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Launch Full Analysis

Related Compounds

(2R)-2-amino-4-methylsulfanyl-1-(6-oxa-9-azaspiro[4.5]decan-9-yl)butan-1-one
CID 99703756
(2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-4-methylpentan-1-one;hydrochloride
CID 119732395
(2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-4-phenylbutan-1-one
CID 104983964
(2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-3-phenylpropan-1-one;hydrochloride
CID 119294272
(2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-3-methylbutan-1-one
CID 61156475
(2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-3,3-dimethylbutan-1-one
CID 61153898
5-amino-1-(2,2-dimethylmorpholin-4-yl)-2-methylpentan-1-one
CID 104683727
(2R)-2-amino-1-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-4-methylsulfanylbutan-1-one
CID 124595801
(2S)-2-amino-1-(3-azaspiro[5.5]undecan-3-yl)-4-methylsulfanylbutan-1-one;hydrochloride
CID 119315111
(2S)-2-amino-1-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)-4-methylsulfanylbutan-1-one;hydrochloride
CID 154918548
(2S)-2-amino-1-(3,3-dimethylmorpholin-4-yl)-4-methylsulfanylbutan-1-one
CID 61430245
(2S)-2-amino-1-(3,4-dihydroxypyrrolidin-1-yl)-4-methylsulfanylbutan-1-one
CID 106668824

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-4-methylsulfanylbutan-1-one;hydrochloride?
The IUPAC name of (2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-4-methylsulfanylbutan-1-one;hydrochloride (CID 119294273) is (2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-4-methylsulfanylbutan-1-one;hydrochloride.
What is the SMILES notation for (2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-4-methylsulfanylbutan-1-one;hydrochloride?
The canonical SMILES for (2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-4-methylsulfanylbutan-1-one;hydrochloride is CSCC[C@H](N)C(=O)N1CCOC(C)(C)C1.Cl.
What is the InChIKey of (2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-4-methylsulfanylbutan-1-one;hydrochloride?
The InChIKey is ONOAIWOXNIHHNS-FVGYRXGTSA-N. The full InChI is InChI=1S/C11H22N2O2S.ClH/c1-11(2)8-13(5-6-15-11)10(14)9(12)4-7-16-3;/h9H,4-8,12H2,1-3H3;1H/t9-;/m0./s1.
What are the key properties of (2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-4-methylsulfanylbutan-1-one;hydrochloride?
(2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-4-methylsulfanylbutan-1-one;hydrochloride has a molecular weight of 282.84 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-4-methylsulfanylbutan-1-one;hydrochloride is sourced from PubChem (CID 119294273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).