2-[2-(1-aminoethyl)morpholin-4-yl]-N-(1,1-dioxothiolan-3-yl)acetamide

C12H23N3O4S — CID 81490518

IUPAC2-[2-(1-aminoethyl)morpholin-4-yl]-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESCC(N)C1CN(CC(=O)NC2CCS(=O)(=O)C2)CCO1
InChIInChI=1S/C12H23N3O4S/c1-9(13)11-6-15(3-4-19-11)7-12(16)14-10-2-5-20(17,18)8-10/h9-11H,2-8,13H2,1H3,(H,14,16)
InChIKeyYKDNTNCXRAGWEK-UHFFFAOYSA-N
MW305.40 g/mol
LogP-1.66
Rot. Bonds4

About 2-[2-(1-aminoethyl)morpholin-4-yl]-N-(1,1-dioxothiolan-3-yl)acetamide

2-[2-(1-aminoethyl)morpholin-4-yl]-N-(1,1-dioxothiolan-3-yl)acetamide (PubChem CID 81490518) has the molecular formula C12H23N3O4S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-[2-(1-aminoethyl)morpholin-4-yl]-N-(1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-[2-(1-aminoethyl)morpholin-4-yl]-N-(1,1-dioxothiolan-3-yl)acetamide
PubChem CID81490518
Molecular FormulaC12H23N3O4S
Molecular Weight305.40 g/mol
Exact Mass305.14
IUPAC Name2-[2-(1-aminoethyl)morpholin-4-yl]-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESCC(N)C1CN(CC(=O)NC2CCS(=O)(=O)C2)CCO1
InChIInChI=1S/C12H23N3O4S/c1-9(13)11-6-15(3-4-19-11)7-12(16)14-10-2-5-20(17,18)8-10/h9-11H,2-8,13H2,1H3,(H,14,16)
InChIKeyYKDNTNCXRAGWEK-UHFFFAOYSA-N
XLogP-1.66
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 5-1.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(1-aminoethyl)morpholin-4-yl]-N-(2,3-dimethylcyclohexyl)acetamide
CID 81497201
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 62061998
N-(1,1-dioxothiolan-3-yl)-2-(4-methylpiperidin-1-yl)acetamide
CID 51170868
N-(1,1-dioxothiolan-3-yl)-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide
CID 107225582
2-(3-aminobutylsulfanyl)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 66233717
N-(1,1-dioxothiolan-3-yl)-2-(3-formylpiperidin-1-yl)acetamide
CID 62656194
3-amino-1-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 107324786
3-[2-[2-(1-aminoethyl)morpholin-4-yl]acetyl]-1,3-oxazolidin-2-one
CID 113285046
(2R)-2-amino-N-(1,1-dioxothiolan-3-yl)propanamide
CID 78972072
2-[2-(1-aminoethyl)morpholin-4-yl]-N-(2-chlorophenyl)acetamide
CID 81490299
4-[2-(1-aminoethyl)morpholin-4-yl]-N-methylbutanamide
CID 115315500
2-[2-(1-aminoethyl)morpholin-4-yl]-N-(2,5-dimethylphenyl)acetamide
CID 81497407

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-aminoethyl)morpholin-4-yl]-N-(1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of 2-[2-(1-aminoethyl)morpholin-4-yl]-N-(1,1-dioxothiolan-3-yl)acetamide (CID 81490518) is 2-[2-(1-aminoethyl)morpholin-4-yl]-N-(1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for 2-[2-(1-aminoethyl)morpholin-4-yl]-N-(1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for 2-[2-(1-aminoethyl)morpholin-4-yl]-N-(1,1-dioxothiolan-3-yl)acetamide is CC(N)C1CN(CC(=O)NC2CCS(=O)(=O)C2)CCO1.
What is the InChIKey of 2-[2-(1-aminoethyl)morpholin-4-yl]-N-(1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is YKDNTNCXRAGWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4S/c1-9(13)11-6-15(3-4-19-11)7-12(16)14-10-2-5-20(17,18)8-10/h9-11H,2-8,13H2,1H3,(H,14,16).
What are the key properties of 2-[2-(1-aminoethyl)morpholin-4-yl]-N-(1,1-dioxothiolan-3-yl)acetamide?
2-[2-(1-aminoethyl)morpholin-4-yl]-N-(1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 305.40 g/mol, XLogP of -1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-aminoethyl)morpholin-4-yl]-N-(1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 81490518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).