N-(1,1-dioxothiolan-3-yl)-2-(2-morpholin-4-ylethylamino)acetamide

C12H23N3O4S — CID 108994771

IUPACN-(1,1-dioxothiolan-3-yl)-2-(2-morpholin-4-ylethylamino)acetamide
SMILESO=C(CNCCN1CCOCC1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C12H23N3O4S/c16-12(14-11-1-8-20(17,18)10-11)9-13-2-3-15-4-6-19-7-5-15/h11,13H,1-10H2,(H,14,16)
InChIKeyPIRPMSRDFKZVRJ-UHFFFAOYSA-N
MW305.40 g/mol
LogP-1.79
Rot. Bonds6

About N-(1,1-dioxothiolan-3-yl)-2-(2-morpholin-4-ylethylamino)acetamide

N-(1,1-dioxothiolan-3-yl)-2-(2-morpholin-4-ylethylamino)acetamide (PubChem CID 108994771) has the molecular formula C12H23N3O4S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-(2-morpholin-4-ylethylamino)acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-(2-morpholin-4-ylethylamino)acetamide
PubChem CID108994771
Molecular FormulaC12H23N3O4S
Molecular Weight305.40 g/mol
Exact Mass305.14
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-(2-morpholin-4-ylethylamino)acetamide
SMILESO=C(CNCCN1CCOCC1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C12H23N3O4S/c16-12(14-11-1-8-20(17,18)10-11)9-13-2-3-15-4-6-19-7-5-15/h11,13H,1-10H2,(H,14,16)
InChIKeyPIRPMSRDFKZVRJ-UHFFFAOYSA-N
XLogP-1.79
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 5-1.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113105920
2-[acetyl(2-morpholin-4-ylethyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 113160630
3-[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]amino]propanoic acid
CID 43466548
N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]oxane-4-carboxamide
CID 112993782
N-(1,1-dioxothiolan-3-yl)-2-(2-morpholin-4-ylanilino)acetamide
CID 109001792
N-cyclopropyl-4-(2-morpholin-4-ylethylamino)butanamide
CID 79394794
2-(2-morpholin-4-ylethylamino)acetic acid
CID 28897547
N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(2-morpholin-4-ylethylamino)propanamide
CID 109016730
N-(1,1-dioxothiolan-3-yl)-2-[2-(1,1-dioxothiolan-3-yl)hydrazinyl]acetamide
CID 18801502
N'-cycloheptyl-N-(2-morpholin-4-ylethyl)propanediamide
CID 108944023
1-[(3R)-1,1-dioxothiolan-3-yl]-3-[2-(4-ethylpiperazin-1-yl)ethyl]urea
CID 95134797
N-(1,1-dioxothiolan-3-yl)-2-[methyl-(3-morpholin-4-yl-3-oxopropyl)amino]acetamide
CID 51087063

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(2-morpholin-4-ylethylamino)acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(2-morpholin-4-ylethylamino)acetamide (CID 108994771) is N-(1,1-dioxothiolan-3-yl)-2-(2-morpholin-4-ylethylamino)acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-(2-morpholin-4-ylethylamino)acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-(2-morpholin-4-ylethylamino)acetamide is O=C(CNCCN1CCOCC1)NC1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-(2-morpholin-4-ylethylamino)acetamide?
The InChIKey is PIRPMSRDFKZVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4S/c16-12(14-11-1-8-20(17,18)10-11)9-13-2-3-15-4-6-19-7-5-15/h11,13H,1-10H2,(H,14,16).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-(2-morpholin-4-ylethylamino)acetamide?
N-(1,1-dioxothiolan-3-yl)-2-(2-morpholin-4-ylethylamino)acetamide has a molecular weight of 305.40 g/mol, XLogP of -1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-(2-morpholin-4-ylethylamino)acetamide is sourced from PubChem (CID 108994771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).