2-[4-(2-morpholin-2-ylacetyl)thiomorpholin-3-yl]acetic acid

C12H20N2O4S — CID 66428343

IUPAC2-[4-(2-morpholin-2-ylacetyl)thiomorpholin-3-yl]acetic acid
SMILESO=C(O)CC1CSCCN1C(=O)CC1CNCCO1
InChIInChI=1S/C12H20N2O4S/c15-11(6-10-7-13-1-3-18-10)14-2-4-19-8-9(14)5-12(16)17/h9-10,13H,1-8H2,(H,16,17)
InChIKeyZOERRJMOCBWUGK-UHFFFAOYSA-N
MW288.37 g/mol
LogP-0.22
Rot. Bonds4

About 2-[4-(2-morpholin-2-ylacetyl)thiomorpholin-3-yl]acetic acid

2-[4-(2-morpholin-2-ylacetyl)thiomorpholin-3-yl]acetic acid (PubChem CID 66428343) has the molecular formula C12H20N2O4S and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-[4-(2-morpholin-2-ylacetyl)thiomorpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-morpholin-2-ylacetyl)thiomorpholin-3-yl]acetic acid
PubChem CID66428343
Molecular FormulaC12H20N2O4S
Molecular Weight288.37 g/mol
Exact Mass288.11
IUPAC Name2-[4-(2-morpholin-2-ylacetyl)thiomorpholin-3-yl]acetic acid
SMILESO=C(O)CC1CSCCN1C(=O)CC1CNCCO1
InChIInChI=1S/C12H20N2O4S/c15-11(6-10-7-13-1-3-18-10)14-2-4-19-8-9(14)5-12(16)17/h9-10,13H,1-8H2,(H,16,17)
InChIKeyZOERRJMOCBWUGK-UHFFFAOYSA-N
XLogP-0.22
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(morpholine-2-carbonyl)thiomorpholin-3-yl]acetic acid
CID 66443562
2-morpholin-2-yl-1-thiomorpholin-4-ylethanone
CID 66434733
2-[4-[(3R)-piperidine-3-carbonyl]thiomorpholin-3-yl]acetic acid
CID 81134562
2-[4-(2-cycloheptylacetyl)thiomorpholin-3-yl]acetic acid
CID 115909820
2-[4-(azepane-1-carbonyl)thiomorpholin-3-yl]acetic acid
CID 66445684
2-[4-(2-methylsulfanylacetyl)thiomorpholin-3-yl]acetic acid
CID 66443082
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-morpholin-2-ylethanone
CID 66428532
2-methyl-3-(2-morpholin-2-ylacetyl)-1,3-thiazolidine-4-carboxylic acid
CID 66426625
1-(azepan-1-yl)-2-morpholin-2-ylethanone
CID 66433560
2-[4-(3,4-dimethylpentanoyl)thiomorpholin-3-yl]acetic acid
CID 119210437
2-[4-[2-(1-aminocyclohexyl)acetyl]thiomorpholin-3-yl]acetic acid
CID 66442999
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-morpholin-2-ylethanone
CID 102726183

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-morpholin-2-ylacetyl)thiomorpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-(2-morpholin-2-ylacetyl)thiomorpholin-3-yl]acetic acid (CID 66428343) is 2-[4-(2-morpholin-2-ylacetyl)thiomorpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-morpholin-2-ylacetyl)thiomorpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-(2-morpholin-2-ylacetyl)thiomorpholin-3-yl]acetic acid is O=C(O)CC1CSCCN1C(=O)CC1CNCCO1.
What is the InChIKey of 2-[4-(2-morpholin-2-ylacetyl)thiomorpholin-3-yl]acetic acid?
The InChIKey is ZOERRJMOCBWUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S/c15-11(6-10-7-13-1-3-18-10)14-2-4-19-8-9(14)5-12(16)17/h9-10,13H,1-8H2,(H,16,17).
What are the key properties of 2-[4-(2-morpholin-2-ylacetyl)thiomorpholin-3-yl]acetic acid?
2-[4-(2-morpholin-2-ylacetyl)thiomorpholin-3-yl]acetic acid has a molecular weight of 288.37 g/mol, XLogP of -0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-morpholin-2-ylacetyl)thiomorpholin-3-yl]acetic acid is sourced from PubChem (CID 66428343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).