2-amino-1-(2,2-dimethylthiomorpholin-4-yl)-2-methylpentan-1-one;hydrochloride

C12H25ClN2OS — CID 119791877

IUPAC2-amino-1-(2,2-dimethylthiomorpholin-4-yl)-2-methylpentan-1-one;hydrochloride
SMILESCCCC(C)(N)C(=O)N1CCSC(C)(C)C1.Cl
InChIInChI=1S/C12H24N2OS.ClH/c1-5-6-12(4,13)10(15)14-7-8-16-11(2,3)9-14;/h5-9,13H2,1-4H3;1H
InChIKeyYFBCRXTZIJCAGK-UHFFFAOYSA-N
MW280.87 g/mol
LogP2.28
Rot. Bonds3

About 2-amino-1-(2,2-dimethylthiomorpholin-4-yl)-2-methylpentan-1-one;hydrochloride

2-amino-1-(2,2-dimethylthiomorpholin-4-yl)-2-methylpentan-1-one;hydrochloride (PubChem CID 119791877) has the molecular formula C12H25ClN2OS and a molecular weight of 280.87 g/mol. Its IUPAC name is 2-amino-1-(2,2-dimethylthiomorpholin-4-yl)-2-methylpentan-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-1-(2,2-dimethylthiomorpholin-4-yl)-2-methylpentan-1-one;hydrochloride
PubChem CID119791877
Molecular FormulaC12H25ClN2OS
Molecular Weight280.87 g/mol
Exact Mass280.14
IUPAC Name2-amino-1-(2,2-dimethylthiomorpholin-4-yl)-2-methylpentan-1-one;hydrochloride
SMILESCCCC(C)(N)C(=O)N1CCSC(C)(C)C1.Cl
InChIInChI=1S/C12H24N2OS.ClH/c1-5-6-12(4,13)10(15)14-7-8-16-11(2,3)9-14;/h5-9,13H2,1-4H3;1H
InChIKeyYFBCRXTZIJCAGK-UHFFFAOYSA-N
XLogP2.28
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.87
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2,2-dimethylthiomorpholin-4-yl)-2-methylpentan-1-one;hydrochloride?
The IUPAC name of 2-amino-1-(2,2-dimethylthiomorpholin-4-yl)-2-methylpentan-1-one;hydrochloride (CID 119791877) is 2-amino-1-(2,2-dimethylthiomorpholin-4-yl)-2-methylpentan-1-one;hydrochloride.
What is the SMILES notation for 2-amino-1-(2,2-dimethylthiomorpholin-4-yl)-2-methylpentan-1-one;hydrochloride?
The canonical SMILES for 2-amino-1-(2,2-dimethylthiomorpholin-4-yl)-2-methylpentan-1-one;hydrochloride is CCCC(C)(N)C(=O)N1CCSC(C)(C)C1.Cl.
What is the InChIKey of 2-amino-1-(2,2-dimethylthiomorpholin-4-yl)-2-methylpentan-1-one;hydrochloride?
The InChIKey is YFBCRXTZIJCAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS.ClH/c1-5-6-12(4,13)10(15)14-7-8-16-11(2,3)9-14;/h5-9,13H2,1-4H3;1H.
What are the key properties of 2-amino-1-(2,2-dimethylthiomorpholin-4-yl)-2-methylpentan-1-one;hydrochloride?
2-amino-1-(2,2-dimethylthiomorpholin-4-yl)-2-methylpentan-1-one;hydrochloride has a molecular weight of 280.87 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2,2-dimethylthiomorpholin-4-yl)-2-methylpentan-1-one;hydrochloride is sourced from PubChem (CID 119791877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).