[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]methanamine

C10H18N4S — CID 106327223

IUPAC[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]methanamine
SMILESNCc1cncn1CCN1CCSCC1
InChIInChI=1S/C10H18N4S/c11-7-10-8-12-9-14(10)2-1-13-3-5-15-6-4-13/h8-9H,1-7,11H2
InChIKeyZMIKBFGOOKZYAH-UHFFFAOYSA-N
MW226.35 g/mol
LogP0.39
Rot. Bonds4

About [3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]methanamine

[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]methanamine (PubChem CID 106327223) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is [3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]methanamine.

Molecular Properties

Compound Name[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]methanamine
PubChem CID106327223
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC Name[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]methanamine
SMILESNCc1cncn1CCN1CCSCC1
InChIInChI=1S/C10H18N4S/c11-7-10-8-12-9-14(10)2-1-13-3-5-15-6-4-13/h8-9H,1-7,11H2
InChIKeyZMIKBFGOOKZYAH-UHFFFAOYSA-N
XLogP0.39
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]methanamine 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

1-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]ethanamine
CID 106327244
[3-(3-morpholin-4-ylpropyl)imidazol-4-yl]methanamine
CID 66147556
3-methyl-2-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]butan-1-amine
CID 106327217
2-methyl-1-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]propan-1-amine
CID 114174001
3-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]pyridin-4-amine
CID 106327236
[3-(2-fluoroethyl)imidazol-4-yl]methanamine;hydrochloride
CID 131637916
(3-prop-2-enylimidazol-4-yl)methanamine
CID 114703830
[3-(2-methoxyethyl)imidazol-4-yl]methanamine;dihydrochloride
CID 75530754
2-[3-(3-morpholin-4-ylpropyl)imidazol-4-yl]ethanamine
CID 114717654
[3-[(E)-pent-3-enyl]imidazol-4-yl]methanamine
CID 114707540
N-[[3-(2-piperidin-1-ylethyl)imidazol-4-yl]methyl]propan-2-amine
CID 66152169
4-[5-(aminomethyl)imidazol-1-yl]-N,N-dimethylbutan-1-amine
CID 66150121

Frequently Asked Questions

What is the IUPAC name of [3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]methanamine?
The IUPAC name of [3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]methanamine (CID 106327223) is [3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]methanamine.
What is the SMILES notation for [3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]methanamine?
The canonical SMILES for [3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]methanamine is NCc1cncn1CCN1CCSCC1.
What is the InChIKey of [3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]methanamine?
The InChIKey is ZMIKBFGOOKZYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c11-7-10-8-12-9-14(10)2-1-13-3-5-15-6-4-13/h8-9H,1-7,11H2.
What are the key properties of [3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]methanamine?
[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]methanamine has a molecular weight of 226.35 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]methanamine is sourced from PubChem (CID 106327223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).