ethyl 2-(2-thiomorpholin-4-ylethylamino)propanoate

C11H22N2O2S — CID 106325112

IUPACethyl 2-(2-thiomorpholin-4-ylethylamino)propanoate
SMILESCCOC(=O)C(C)NCCN1CCSCC1
InChIInChI=1S/C11H22N2O2S/c1-3-15-11(14)10(2)12-4-5-13-6-8-16-9-7-13/h10,12H,3-9H2,1-2H3
InChIKeyXTCGQHFZEDXUJH-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.58
Rot. Bonds6

About ethyl 2-(2-thiomorpholin-4-ylethylamino)propanoate

ethyl 2-(2-thiomorpholin-4-ylethylamino)propanoate (PubChem CID 106325112) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is ethyl 2-(2-thiomorpholin-4-ylethylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-(2-thiomorpholin-4-ylethylamino)propanoate
PubChem CID106325112
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Nameethyl 2-(2-thiomorpholin-4-ylethylamino)propanoate
SMILESCCOC(=O)C(C)NCCN1CCSCC1
InChIInChI=1S/C11H22N2O2S/c1-3-15-11(14)10(2)12-4-5-13-6-8-16-9-7-13/h10,12H,3-9H2,1-2H3
InChIKeyXTCGQHFZEDXUJH-UHFFFAOYSA-N
XLogP0.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-2-(2-thiomorpholin-4-ylethylamino)propanamide
CID 106325726
1-morpholin-4-yl-2-(2-thiomorpholin-4-ylethylamino)propan-1-one
CID 106325630
2-(2-thiomorpholin-4-ylethylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 106325255
(2S)-2-amino-N-(2-thiomorpholin-4-ylethyl)pentanamide
CID 106325399
2-(2-thiomorpholin-4-ylethylamino)hexanoic acid
CID 106326003
(2S)-2-amino-N-(2-thiomorpholin-4-ylethyl)butanamide
CID 103813710
N-phenyl-2-(2-thiomorpholin-4-ylethylamino)propanamide
CID 106325114
2-amino-3-methyl-N-(2-thiomorpholin-4-ylethyl)butanamide
CID 103813658
2-amino-N-(2-thiomorpholin-4-ylethyl)hexanamide
CID 113310726
2-(aminomethyl)-N-(2-thiomorpholin-4-ylethyl)pentanamide
CID 114173777
3-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)butanamide
CID 114173784
3-amino-N-(2-thiomorpholin-4-ylethyl)hexanamide
CID 106325226

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-thiomorpholin-4-ylethylamino)propanoate?
The IUPAC name of ethyl 2-(2-thiomorpholin-4-ylethylamino)propanoate (CID 106325112) is ethyl 2-(2-thiomorpholin-4-ylethylamino)propanoate.
What is the SMILES notation for ethyl 2-(2-thiomorpholin-4-ylethylamino)propanoate?
The canonical SMILES for ethyl 2-(2-thiomorpholin-4-ylethylamino)propanoate is CCOC(=O)C(C)NCCN1CCSCC1.
What is the InChIKey of ethyl 2-(2-thiomorpholin-4-ylethylamino)propanoate?
The InChIKey is XTCGQHFZEDXUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-3-15-11(14)10(2)12-4-5-13-6-8-16-9-7-13/h10,12H,3-9H2,1-2H3.
What are the key properties of ethyl 2-(2-thiomorpholin-4-ylethylamino)propanoate?
ethyl 2-(2-thiomorpholin-4-ylethylamino)propanoate has a molecular weight of 246.38 g/mol, XLogP of 0.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-thiomorpholin-4-ylethylamino)propanoate is sourced from PubChem (CID 106325112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).