2-amino-2-methyl-3-phenyl-1-thiomorpholin-4-ylpropan-1-one;hydrochloride

C14H21ClN2OS — CID 174794603

IUPAC2-amino-2-methyl-3-phenyl-1-thiomorpholin-4-ylpropan-1-one;hydrochloride
SMILESCC(N)(Cc1ccccc1)C(=O)N1CCSCC1.Cl
InChIInChI=1S/C14H20N2OS.ClH/c1-14(15,11-12-5-3-2-4-6-12)13(17)16-7-9-18-10-8-16;/h2-6H,7-11,15H2,1H3;1H
InChIKeyLGCYBZMEGKTLMO-UHFFFAOYSA-N
MW300.85 g/mol
LogP1.94
Rot. Bonds3

About 2-amino-2-methyl-3-phenyl-1-thiomorpholin-4-ylpropan-1-one;hydrochloride

2-amino-2-methyl-3-phenyl-1-thiomorpholin-4-ylpropan-1-one;hydrochloride (PubChem CID 174794603) has the molecular formula C14H21ClN2OS and a molecular weight of 300.85 g/mol. Its IUPAC name is 2-amino-2-methyl-3-phenyl-1-thiomorpholin-4-ylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-2-methyl-3-phenyl-1-thiomorpholin-4-ylpropan-1-one;hydrochloride
PubChem CID174794603
Molecular FormulaC14H21ClN2OS
Molecular Weight300.85 g/mol
Exact Mass300.11
IUPAC Name2-amino-2-methyl-3-phenyl-1-thiomorpholin-4-ylpropan-1-one;hydrochloride
SMILESCC(N)(Cc1ccccc1)C(=O)N1CCSCC1.Cl
InChIInChI=1S/C14H20N2OS.ClH/c1-14(15,11-12-5-3-2-4-6-12)13(17)16-7-9-18-10-8-16;/h2-6H,7-11,15H2,1H3;1H
InChIKeyLGCYBZMEGKTLMO-UHFFFAOYSA-N
XLogP1.94
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.85
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-methyl-3-phenyl-1-(4-thiomorpholin-4-ylpiperidin-1-yl)propan-1-one;dihydrochloride
CID 154891797
2-amino-2-methyl-1-thiomorpholin-4-ylbutan-1-one
CID 79796512
(2R)-2-amino-2-methyl-3-phenylpropanoic acid
CID 7023409
N'-(2,2-dimethyl-3-phenylpropyl)thiomorpholine-4-carboximidamide
CID 111815528
(2R)-2-amino-2,4,4-trimethyl-1-phenylpentan-3-one
CID 177194439
2-amino-1-(4-benzylpiperidin-1-yl)-2-methylpentan-1-one;hydrochloride
CID 119671917
2-amino-2-methyl-1-(1,4-thiazepan-4-yl)butan-1-one
CID 79804944
2-amino-1-(4-benzylpiperidin-1-yl)-2-methylpentan-1-one
CID 60847519
(2R)-2-[[(2S)-2-amino-2-methyl-3-phenylpropanoyl]amino]-2-methyl-3-phenylpropanoic acid
CID 134918907
benzyl 4-(2-amino-2-methylpropanoyl)piperazine-1-carboxylate
CID 23077829
2-amino-4-phenyl-1-thiomorpholin-4-ylbutan-1-one
CID 114925089
benzyl 1,3-thiazolidine-3-carboxylate
CID 139958620

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-3-phenyl-1-thiomorpholin-4-ylpropan-1-one;hydrochloride?
The IUPAC name of 2-amino-2-methyl-3-phenyl-1-thiomorpholin-4-ylpropan-1-one;hydrochloride (CID 174794603) is 2-amino-2-methyl-3-phenyl-1-thiomorpholin-4-ylpropan-1-one;hydrochloride.
What is the SMILES notation for 2-amino-2-methyl-3-phenyl-1-thiomorpholin-4-ylpropan-1-one;hydrochloride?
The canonical SMILES for 2-amino-2-methyl-3-phenyl-1-thiomorpholin-4-ylpropan-1-one;hydrochloride is CC(N)(Cc1ccccc1)C(=O)N1CCSCC1.Cl.
What is the InChIKey of 2-amino-2-methyl-3-phenyl-1-thiomorpholin-4-ylpropan-1-one;hydrochloride?
The InChIKey is LGCYBZMEGKTLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS.ClH/c1-14(15,11-12-5-3-2-4-6-12)13(17)16-7-9-18-10-8-16;/h2-6H,7-11,15H2,1H3;1H.
What are the key properties of 2-amino-2-methyl-3-phenyl-1-thiomorpholin-4-ylpropan-1-one;hydrochloride?
2-amino-2-methyl-3-phenyl-1-thiomorpholin-4-ylpropan-1-one;hydrochloride has a molecular weight of 300.85 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-3-phenyl-1-thiomorpholin-4-ylpropan-1-one;hydrochloride is sourced from PubChem (CID 174794603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).