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

N-[(5-methyl-1H-imidazol-4-yl)methyl]-N',N'-bis[2-[(5-methyl-1H-imidazol-4-yl)methylamino]ethyl]ethane-1,2-diamine
CID 102599835
N-[(1-methylpyrrol-3-yl)methyl]-2-thiomorpholin-4-ylethanamine
CID 115867950
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-thiomorpholin-4-ylethanamine
CID 114173761
N',N'-diethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine
CID 62747971
N-[2-[(5-methyl-1H-imidazol-4-yl)methylamino]ethyl]methanesulfonamide
CID 62748511
N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine
CID 106104274
N,N,1-trimethyl-5-[(2-thiomorpholin-4-ylethylamino)methyl]imidazol-2-amine
CID 106324569
5-methoxy-4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one
CID 136876834
N',N'-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]butane-1,4-diamine
CID 62743967
N-[(6-methoxy-3-pyridinyl)methyl]-2-thiomorpholin-4-ylethanamine
CID 105006718
N'-cyclopentyl-N'-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine
CID 63314418
N-(1,3-oxazol-5-ylmethyl)-2-thiomorpholin-4-ylethanamine
CID 106325045

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).