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

C14H25N3O5S — CID 51087063

IUPACN-(1,1-dioxothiolan-3-yl)-2-[methyl-(3-morpholin-4-yl-3-oxopropyl)amino]acetamide
SMILESCN(CCC(=O)N1CCOCC1)CC(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C14H25N3O5S/c1-16(4-2-14(19)17-5-7-22-8-6-17)10-13(18)15-12-3-9-23(20,21)11-12/h12H,2-11H2,1H3,(H,15,18)
InChIKeyCTBLJMFGIHLHQW-UHFFFAOYSA-N
MW347.44 g/mol
LogP-1.53
Rot. Bonds6

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

N-(1,1-dioxothiolan-3-yl)-2-[methyl-(3-morpholin-4-yl-3-oxopropyl)amino]acetamide (PubChem CID 51087063) has the molecular formula C14H25N3O5S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-[methyl-(3-morpholin-4-yl-3-oxopropyl)amino]acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-[methyl-(3-morpholin-4-yl-3-oxopropyl)amino]acetamide
PubChem CID51087063
Molecular FormulaC14H25N3O5S
Molecular Weight347.44 g/mol
Exact Mass347.15
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-[methyl-(3-morpholin-4-yl-3-oxopropyl)amino]acetamide
SMILESCN(CCC(=O)N1CCOCC1)CC(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C14H25N3O5S/c1-16(4-2-14(19)17-5-7-22-8-6-17)10-13(18)15-12-3-9-23(20,21)11-12/h12H,2-11H2,1H3,(H,15,18)
InChIKeyCTBLJMFGIHLHQW-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

Analyze N-(1,1-dioxothiolan-3-yl)-2-[methyl-(3-morpholin-4-yl-3-oxopropyl)amino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[acetyl(2-morpholin-4-ylethyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 113160630
3-[methyl-(3-morpholin-4-yl-3-oxopropyl)amino]-1-morpholin-4-ylpropan-1-one
CID 23422467
N-(1,1-dioxothiolan-3-yl)-N-(3-morpholin-4-yl-3-oxopropyl)methanesulfonamide
CID 113140508
N-(1,1-dioxothiolan-3-yl)-2,2-dimethyl-3-morpholin-4-yl-3-oxopropanamide
CID 108959841
N-(1,1-dioxothiolan-3-yl)-2-(2-morpholin-4-ylethylamino)acetamide
CID 108994771
N-(1,1-dioxothiolan-3-yl)-3-[(1,1-dioxothiolan-3-yl)-methylamino]propanamide
CID 109026291
N-(1,1-dioxothiolan-3-yl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113105920
N-(1,1-dioxothiolan-3-yl)-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
CID 109133302
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 51171626
N-(1,1-dioxothiolan-3-yl)butanamide
CID 18573523
N-(1,1-dioxothiolan-3-yl)-2-[ethyl-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide
CID 4968344
1-(azepan-1-yl)-3-[(1,1-dioxothiolan-3-yl)-methylamino]propan-1-one
CID 109026751

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-[methyl-(3-morpholin-4-yl-3-oxopropyl)amino]acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-[methyl-(3-morpholin-4-yl-3-oxopropyl)amino]acetamide (CID 51087063) is N-(1,1-dioxothiolan-3-yl)-2-[methyl-(3-morpholin-4-yl-3-oxopropyl)amino]acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-[methyl-(3-morpholin-4-yl-3-oxopropyl)amino]acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-[methyl-(3-morpholin-4-yl-3-oxopropyl)amino]acetamide is CN(CCC(=O)N1CCOCC1)CC(=O)NC1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-[methyl-(3-morpholin-4-yl-3-oxopropyl)amino]acetamide?
The InChIKey is CTBLJMFGIHLHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O5S/c1-16(4-2-14(19)17-5-7-22-8-6-17)10-13(18)15-12-3-9-23(20,21)11-12/h12H,2-11H2,1H3,(H,15,18).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-[methyl-(3-morpholin-4-yl-3-oxopropyl)amino]acetamide?
N-(1,1-dioxothiolan-3-yl)-2-[methyl-(3-morpholin-4-yl-3-oxopropyl)amino]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 N-(1,1-dioxothiolan-3-yl)-2-[methyl-(3-morpholin-4-yl-3-oxopropyl)amino]acetamide is sourced from PubChem (CID 51087063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).