N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-thiomorpholin-4-ylethanamine

C11H20N4S — CID 106324757

IUPACN-[(5-methyl-1H-imidazol-4-yl)methyl]-2-thiomorpholin-4-ylethanamine
SMILESCc1[nH]cnc1CNCCN1CCSCC1
InChIInChI=1S/C11H20N4S/c1-10-11(14-9-13-10)8-12-2-3-15-4-6-16-7-5-15/h9,12H,2-8H2,1H3,(H,13,14)
InChIKeyWUJSIZKIMDUXLJ-UHFFFAOYSA-N
MW240.38 g/mol
LogP0.86
Rot. Bonds5

About N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-thiomorpholin-4-ylethanamine

N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-thiomorpholin-4-ylethanamine (PubChem CID 106324757) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-thiomorpholin-4-ylethanamine.

Molecular Properties

Compound NameN-[(5-methyl-1H-imidazol-4-yl)methyl]-2-thiomorpholin-4-ylethanamine
PubChem CID106324757
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC NameN-[(5-methyl-1H-imidazol-4-yl)methyl]-2-thiomorpholin-4-ylethanamine
SMILESCc1[nH]cnc1CNCCN1CCSCC1
InChIInChI=1S/C11H20N4S/c1-10-11(14-9-13-10)8-12-2-3-15-4-6-16-7-5-15/h9,12H,2-8H2,1H3,(H,13,14)
InChIKeyWUJSIZKIMDUXLJ-UHFFFAOYSA-N
XLogP0.86
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Cimetidine
CID 2756
Metiamide
CID 1548992
Cimetidine Hydrochloride
CID 50963
Etintidine
CID 135413503
4-(((2-Aminoethyl)thio)methyl)-5-methylimidazole
CID 665568
Descyano Cimetidine Dihydrochloride Salt
CID 12923393
methyl N'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]carbamimidothioate;hydroiodide
CID 12810815
Cimetidine Impurity D
CID 90673270
N'-cyano-3-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]propanimidamide
CID 12875839
N-cyano-N'-methyl-3-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]propanimidamide
CID 44381366
(1S*,5R*)-3-[(4-methyl-1H-imidazol-5-yl)methyl]-6-[3-(methylthio)propyl]-3,6-diazabicyclo[3.2.2]nonane
CID 133123708
N-Cyano-N'-(2-(((4-methyl-1H-imidazol-5-yl)methyl)thio)ethyl)guanidine
CID 162678

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-thiomorpholin-4-ylethanamine?
The IUPAC name of N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-thiomorpholin-4-ylethanamine (CID 106324757) is N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-thiomorpholin-4-ylethanamine.
What is the SMILES notation for N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-thiomorpholin-4-ylethanamine?
The canonical SMILES for N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-thiomorpholin-4-ylethanamine is Cc1[nH]cnc1CNCCN1CCSCC1.
What is the InChIKey of N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-thiomorpholin-4-ylethanamine?
The InChIKey is WUJSIZKIMDUXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-10-11(14-9-13-10)8-12-2-3-15-4-6-16-7-5-15/h9,12H,2-8H2,1H3,(H,13,14).
What are the key properties of N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-thiomorpholin-4-ylethanamine?
N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-thiomorpholin-4-ylethanamine has a molecular weight of 240.38 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-thiomorpholin-4-ylethanamine is sourced from PubChem (CID 106324757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).