2-[acetyl(2-morpholin-4-ylethyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide

C14H25N3O5S — CID 113160630

IUPAC2-[acetyl(2-morpholin-4-ylethyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESCC(=O)N(CCN1CCOCC1)CC(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C14H25N3O5S/c1-12(18)17(4-3-16-5-7-22-8-6-16)10-14(19)15-13-2-9-23(20,21)11-13/h13H,2-11H2,1H3,(H,15,19)
InChIKeyDKNRLHAYMDNVTD-UHFFFAOYSA-N
MW347.44 g/mol
LogP-1.53
Rot. Bonds6

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

2-[acetyl(2-morpholin-4-ylethyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide (PubChem CID 113160630) has the molecular formula C14H25N3O5S and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-[acetyl(2-morpholin-4-ylethyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-[acetyl(2-morpholin-4-ylethyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide
PubChem CID113160630
Molecular FormulaC14H25N3O5S
Molecular Weight347.44 g/mol
Exact Mass347.15
IUPAC Name2-[acetyl(2-morpholin-4-ylethyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESCC(=O)N(CCN1CCOCC1)CC(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C14H25N3O5S/c1-12(18)17(4-3-16-5-7-22-8-6-16)10-14(19)15-13-2-9-23(20,21)11-13/h13H,2-11H2,1H3,(H,15,19)
InChIKeyDKNRLHAYMDNVTD-UHFFFAOYSA-N
XLogP-1.53
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 5-1.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[[2-[acetyl(2-morpholin-4-ylethyl)amino]acetyl]amino]piperidine-1-carboxylate
CID 113160641
N-(1,1-dioxothiolan-3-yl)-2-(2-morpholin-4-ylethylamino)acetamide
CID 108994771
2-[acetyl(oxolan-2-ylmethyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 113160234
N-(1,1-dioxothiolan-3-yl)-2-[methyl-(3-morpholin-4-yl-3-oxopropyl)amino]acetamide
CID 51087063
N-(1,1-dioxothiolan-3-yl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113105920
N-(1,1-dioxothiolan-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 23968630
N-cyclopropyl-2-[methylsulfonyl(2-morpholin-4-ylethyl)amino]acetamide
CID 113149952
2-[acetyl(2-morpholin-4-ylethyl)amino]-N-(4-fluorophenyl)acetamide
CID 113160688
2-[acetyl(2-morpholin-4-ylethyl)amino]-N-(4-tert-butylphenyl)acetamide
CID 113160686
2-[acetyl(propyl)amino]-N-cyclopropylacetamide
CID 113157902
N-(1,1-dioxothiolan-3-yl)-2-[ethyl-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide
CID 4968344
2-[acetyl(2-morpholin-4-ylethyl)amino]-N-[(4-chlorophenyl)methyl]acetamide
CID 113160614

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(2-morpholin-4-ylethyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of 2-[acetyl(2-morpholin-4-ylethyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide (CID 113160630) is 2-[acetyl(2-morpholin-4-ylethyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for 2-[acetyl(2-morpholin-4-ylethyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for 2-[acetyl(2-morpholin-4-ylethyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide is CC(=O)N(CCN1CCOCC1)CC(=O)NC1CCS(=O)(=O)C1.
What is the InChIKey of 2-[acetyl(2-morpholin-4-ylethyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is DKNRLHAYMDNVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O5S/c1-12(18)17(4-3-16-5-7-22-8-6-16)10-14(19)15-13-2-9-23(20,21)11-13/h13H,2-11H2,1H3,(H,15,19).
What are the key properties of 2-[acetyl(2-morpholin-4-ylethyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide?
2-[acetyl(2-morpholin-4-ylethyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 347.44 g/mol, XLogP of -1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(2-morpholin-4-ylethyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 113160630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).