N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-2-morpholin-3-ylacetamide

C13H22N4O2S — CID 56883805

IUPACN-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-2-morpholin-3-ylacetamide
SMILESCc1[nH]cnc1CSCCNC(=O)CC1COCCN1
InChIInChI=1S/C13H22N4O2S/c1-10-12(17-9-16-10)8-20-5-3-15-13(18)6-11-7-19-4-2-14-11/h9,11,14H,2-8H2,1H3,(H,15,18)(H,16,17)
InChIKeyRDUWTCKFPHCDOV-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.45
Rot. Bonds7

About N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-2-morpholin-3-ylacetamide

N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-2-morpholin-3-ylacetamide (PubChem CID 56883805) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-2-morpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-2-morpholin-3-ylacetamide
PubChem CID56883805
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC NameN-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-2-morpholin-3-ylacetamide
SMILESCc1[nH]cnc1CSCCNC(=O)CC1COCCN1
InChIInChI=1S/C13H22N4O2S/c1-10-12(17-9-16-10)8-20-5-3-15-13(18)6-11-7-19-4-2-14-11/h9,11,14H,2-8H2,1H3,(H,15,18)(H,16,17)
InChIKeyRDUWTCKFPHCDOV-UHFFFAOYSA-N
XLogP0.45
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_B(2)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-2-morpholin-3-ylacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-2-morpholin-3-ylacetamide?
The IUPAC name of N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-2-morpholin-3-ylacetamide (CID 56883805) is N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-2-morpholin-3-ylacetamide.
What is the SMILES notation for N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-2-morpholin-3-ylacetamide?
The canonical SMILES for N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-2-morpholin-3-ylacetamide is Cc1[nH]cnc1CSCCNC(=O)CC1COCCN1.
What is the InChIKey of N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-2-morpholin-3-ylacetamide?
The InChIKey is RDUWTCKFPHCDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-10-12(17-9-16-10)8-20-5-3-15-13(18)6-11-7-19-4-2-14-11/h9,11,14H,2-8H2,1H3,(H,15,18)(H,16,17).
What are the key properties of N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-2-morpholin-3-ylacetamide?
N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-2-morpholin-3-ylacetamide has a molecular weight of 298.41 g/mol, XLogP of 0.45, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-2-morpholin-3-ylacetamide is sourced from PubChem (CID 56883805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).