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

C11H23ClN2OS — CID 120501117

IUPAC3-amino-1-(2,2-dimethylthiomorpholin-4-yl)-2-methylbutan-1-one;hydrochloride
SMILESCC(N)C(C)C(=O)N1CCSC(C)(C)C1.Cl
InChIInChI=1S/C11H22N2OS.ClH/c1-8(9(2)12)10(14)13-5-6-15-11(3,4)7-13;/h8-9H,5-7,12H2,1-4H3;1H
InChIKeyHPIYYCIVYCGBPS-UHFFFAOYSA-N
MW266.84 g/mol
LogP1.75
Rot. Bonds2

About 3-amino-1-(2,2-dimethylthiomorpholin-4-yl)-2-methylbutan-1-one;hydrochloride

3-amino-1-(2,2-dimethylthiomorpholin-4-yl)-2-methylbutan-1-one;hydrochloride (PubChem CID 120501117) has the molecular formula C11H23ClN2OS and a molecular weight of 266.84 g/mol. Its IUPAC name is 3-amino-1-(2,2-dimethylthiomorpholin-4-yl)-2-methylbutan-1-one;hydrochloride.

Molecular Properties

Compound Name3-amino-1-(2,2-dimethylthiomorpholin-4-yl)-2-methylbutan-1-one;hydrochloride
PubChem CID120501117
Molecular FormulaC11H23ClN2OS
Molecular Weight266.84 g/mol
Exact Mass266.12
IUPAC Name3-amino-1-(2,2-dimethylthiomorpholin-4-yl)-2-methylbutan-1-one;hydrochloride
SMILESCC(N)C(C)C(=O)N1CCSC(C)(C)C1.Cl
InChIInChI=1S/C11H22N2OS.ClH/c1-8(9(2)12)10(14)13-5-6-15-11(3,4)7-13;/h8-9H,5-7,12H2,1-4H3;1H
InChIKeyHPIYYCIVYCGBPS-UHFFFAOYSA-N
XLogP1.75
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.84
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-methylbutan-1-one
CID 107454599
(2R)-1-(2,2-dimethylthiomorpholin-4-yl)-2-hydroxypropan-1-one
CID 130736766
(2R)-2-amino-1-(2,2-dimethylthiomorpholin-4-yl)pentan-1-one
CID 103797336
2-bromo-1-(2,2-dimethylthiomorpholin-4-yl)propan-1-one
CID 107905824
1-(2,2-dimethylthiomorpholin-4-yl)-2-(methylamino)ethanone;hydrochloride
CID 119791850
2-amino-1-(2,2-dimethylthiomorpholin-4-yl)-2-methylpentan-1-one;hydrochloride
CID 119791877
4-amino-1-(2,2-dimethylthiomorpholin-4-yl)butan-1-one;hydrochloride
CID 119328228
1-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-methylpropan-1-one
CID 107300674
3-amino-2-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;dihydrochloride
CID 120502801
(2S)-2-amino-1-(7,7-dimethyl-1,4-thiazepan-4-yl)pentan-1-one
CID 107571032
(1-aminocyclohexyl)-(2,2-dimethylthiomorpholin-4-yl)methanone
CID 115734565
3-amino-2-methyl-1-(8-oxa-2-azaspiro[4.5]decan-2-yl)butan-1-one
CID 120502174

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,2-dimethylthiomorpholin-4-yl)-2-methylbutan-1-one;hydrochloride?
The IUPAC name of 3-amino-1-(2,2-dimethylthiomorpholin-4-yl)-2-methylbutan-1-one;hydrochloride (CID 120501117) is 3-amino-1-(2,2-dimethylthiomorpholin-4-yl)-2-methylbutan-1-one;hydrochloride.
What is the SMILES notation for 3-amino-1-(2,2-dimethylthiomorpholin-4-yl)-2-methylbutan-1-one;hydrochloride?
The canonical SMILES for 3-amino-1-(2,2-dimethylthiomorpholin-4-yl)-2-methylbutan-1-one;hydrochloride is CC(N)C(C)C(=O)N1CCSC(C)(C)C1.Cl.
What is the InChIKey of 3-amino-1-(2,2-dimethylthiomorpholin-4-yl)-2-methylbutan-1-one;hydrochloride?
The InChIKey is HPIYYCIVYCGBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS.ClH/c1-8(9(2)12)10(14)13-5-6-15-11(3,4)7-13;/h8-9H,5-7,12H2,1-4H3;1H.
What are the key properties of 3-amino-1-(2,2-dimethylthiomorpholin-4-yl)-2-methylbutan-1-one;hydrochloride?
3-amino-1-(2,2-dimethylthiomorpholin-4-yl)-2-methylbutan-1-one;hydrochloride has a molecular weight of 266.84 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,2-dimethylthiomorpholin-4-yl)-2-methylbutan-1-one;hydrochloride is sourced from PubChem (CID 120501117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).