ethyl 2-methyl-2-[(2-thiomorpholin-3-ylacetyl)amino]propanoate;hydrochloride

C12H23ClN2O3S — CID 119938665

IUPACethyl 2-methyl-2-[(2-thiomorpholin-3-ylacetyl)amino]propanoate;hydrochloride
SMILESCCOC(=O)C(C)(C)NC(=O)CC1CSCCN1.Cl
InChIInChI=1S/C12H22N2O3S.ClH/c1-4-17-11(16)12(2,3)14-10(15)7-9-8-18-6-5-13-9;/h9,13H,4-8H2,1-3H3,(H,14,15);1H
InChIKeyGEFZXWONIZKOOT-UHFFFAOYSA-N
MW310.85 g/mol
LogP0.96
Rot. Bonds5

About ethyl 2-methyl-2-[(2-thiomorpholin-3-ylacetyl)amino]propanoate;hydrochloride

ethyl 2-methyl-2-[(2-thiomorpholin-3-ylacetyl)amino]propanoate;hydrochloride (PubChem CID 119938665) has the molecular formula C12H23ClN2O3S and a molecular weight of 310.85 g/mol. Its IUPAC name is ethyl 2-methyl-2-[(2-thiomorpholin-3-ylacetyl)amino]propanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-methyl-2-[(2-thiomorpholin-3-ylacetyl)amino]propanoate;hydrochloride
PubChem CID119938665
Molecular FormulaC12H23ClN2O3S
Molecular Weight310.85 g/mol
Exact Mass310.11
IUPAC Nameethyl 2-methyl-2-[(2-thiomorpholin-3-ylacetyl)amino]propanoate;hydrochloride
SMILESCCOC(=O)C(C)(C)NC(=O)CC1CSCCN1.Cl
InChIInChI=1S/C12H22N2O3S.ClH/c1-4-17-11(16)12(2,3)14-10(15)7-9-8-18-6-5-13-9;/h9,13H,4-8H2,1-3H3,(H,14,15);1H
InChIKeyGEFZXWONIZKOOT-UHFFFAOYSA-N
XLogP0.96
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.85
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-methyl-2-[(2-pyrrolidin-2-ylacetyl)amino]propanoate
CID 119772513
3-methyl-3-[(2-thiomorpholin-3-ylacetyl)amino]butanoic acid
CID 66420329
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-thiomorpholin-3-ylacetamide
CID 114155796
N-(2,2-dimethylpropyl)-2-thiomorpholin-3-ylacetamide
CID 66422271
ethyl 4-[(2-thiomorpholin-3-ylacetyl)amino]butanoate
CID 66419936
N-(2-hydroxy-2-methylbutyl)-2-thiomorpholin-3-ylacetamide
CID 66421910
N-[2-(tert-butylamino)-2-oxoethyl]-2-thiomorpholin-3-ylacetamide
CID 66423008
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119942290
N-(2,2-diethylbutyl)-2-thiomorpholin-3-ylacetamide
CID 119940576
N-(5,5-dimethylhexan-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939591
2-phenyl-2-[(2-thiomorpholin-3-ylacetyl)amino]propanamide
CID 119938213
(2R)-3,3-dimethyl-2-[(2-thiomorpholin-3-ylacetyl)amino]butanoic acid
CID 113353132

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-[(2-thiomorpholin-3-ylacetyl)amino]propanoate;hydrochloride?
The IUPAC name of ethyl 2-methyl-2-[(2-thiomorpholin-3-ylacetyl)amino]propanoate;hydrochloride (CID 119938665) is ethyl 2-methyl-2-[(2-thiomorpholin-3-ylacetyl)amino]propanoate;hydrochloride.
What is the SMILES notation for ethyl 2-methyl-2-[(2-thiomorpholin-3-ylacetyl)amino]propanoate;hydrochloride?
The canonical SMILES for ethyl 2-methyl-2-[(2-thiomorpholin-3-ylacetyl)amino]propanoate;hydrochloride is CCOC(=O)C(C)(C)NC(=O)CC1CSCCN1.Cl.
What is the InChIKey of ethyl 2-methyl-2-[(2-thiomorpholin-3-ylacetyl)amino]propanoate;hydrochloride?
The InChIKey is GEFZXWONIZKOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S.ClH/c1-4-17-11(16)12(2,3)14-10(15)7-9-8-18-6-5-13-9;/h9,13H,4-8H2,1-3H3,(H,14,15);1H.
What are the key properties of ethyl 2-methyl-2-[(2-thiomorpholin-3-ylacetyl)amino]propanoate;hydrochloride?
ethyl 2-methyl-2-[(2-thiomorpholin-3-ylacetyl)amino]propanoate;hydrochloride has a molecular weight of 310.85 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-[(2-thiomorpholin-3-ylacetyl)amino]propanoate;hydrochloride is sourced from PubChem (CID 119938665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).