N-(1,1-dioxothiolan-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide

C13H24N2O4S — CID 23968630

IUPACN-(1,1-dioxothiolan-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCC(=O)N(CCCN1CCOCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C13H24N2O4S/c1-12(16)15(13-3-10-20(17,18)11-13)5-2-4-14-6-8-19-9-7-14/h13H,2-11H2,1H3
InChIKeyIMOOTXZRUKDXBH-UHFFFAOYSA-N
MW304.41 g/mol
LogP-0.26
Rot. Bonds5

About N-(1,1-dioxothiolan-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide

N-(1,1-dioxothiolan-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide (PubChem CID 23968630) has the molecular formula C13H24N2O4S and a molecular weight of 304.41 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide
PubChem CID23968630
Molecular FormulaC13H24N2O4S
Molecular Weight304.41 g/mol
Exact Mass304.15
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCC(=O)N(CCCN1CCOCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C13H24N2O4S/c1-12(16)15(13-3-10-20(17,18)11-13)5-2-4-14-6-8-19-9-7-14/h13H,2-11H2,1H3
InChIKeyIMOOTXZRUKDXBH-UHFFFAOYSA-N
XLogP-0.26
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 5-0.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N'-[2-(dimethylamino)ethyl]-N'-(1,1-dioxothiolan-3-yl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 108518470
N-(1,1-dioxothiolan-3-yl)-2,3,4,5,6-pentamethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 55383917
N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(2-morpholin-4-ylethylamino)propanamide
CID 109016730
N-(1,1-dioxothiolan-3-yl)-N-propylacetamide
CID 3386590
3-[[(1,1-dioxothiolan-3-yl)-(3-morpholin-4-ylpropyl)sulfamoyl]-methylamino]propanenitrile
CID 55598260
methyl 4-[(1,1-dioxothiolan-3-yl)-(3-morpholin-4-ylpropyl)sulfamoyl]benzoate
CID 55434726
N-[(3R)-1,1-dioxothiolan-3-yl]-3,4-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 129375077
methyl 3-[(1,1-dioxothiolan-3-yl)-(3-morpholin-4-ylpropyl)sulfamoyl]benzoate
CID 55516389
N-[(3R)-1,1-dioxothiolan-3-yl]-2,4-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 129375071
N-butyl-N-(1,1-dioxothian-4-yl)acetamide
CID 123376891
N-(1,1-dioxothiolan-3-yl)-4-(2-methoxyethoxy)-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 55598179
N-(1,1-dioxothiolan-3-yl)-4-fluoro-2-methyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 55537846

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide (CID 23968630) is N-(1,1-dioxothiolan-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide is CC(=O)N(CCCN1CCOCC1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide?
The InChIKey is IMOOTXZRUKDXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4S/c1-12(16)15(13-3-10-20(17,18)11-13)5-2-4-14-6-8-19-9-7-14/h13H,2-11H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide?
N-(1,1-dioxothiolan-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide has a molecular weight of 304.41 g/mol, XLogP of -0.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 23968630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).