1-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]ethanamine

C11H20N4S — CID 106327244

IUPAC1-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]ethanamine
SMILESCC(N)c1cncn1CCN1CCSCC1
InChIInChI=1S/C11H20N4S/c1-10(12)11-8-13-9-15(11)3-2-14-4-6-16-7-5-14/h8-10H,2-7,12H2,1H3
InChIKeyHZYFMJWRMYOTPE-UHFFFAOYSA-N
MW240.38 g/mol
LogP0.95
Rot. Bonds4

About 1-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]ethanamine

1-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]ethanamine (PubChem CID 106327244) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is 1-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]ethanamine
PubChem CID106327244
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC Name1-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]ethanamine
SMILESCC(N)c1cncn1CCN1CCSCC1
InChIInChI=1S/C11H20N4S/c1-10(12)11-8-13-9-15(11)3-2-14-4-6-16-7-5-14/h8-10H,2-7,12H2,1H3
InChIKeyHZYFMJWRMYOTPE-UHFFFAOYSA-N
XLogP0.95
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-1-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]propan-1-amine
CID 114174001
3-methyl-2-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]butan-1-amine
CID 106327217
[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]methanamine
CID 106327223
(1S)-1-[3-(2-aminoethyl)imidazol-4-yl]ethanamine
CID 104942319
1-(3-butylimidazol-4-yl)ethanamine
CID 114702792
(1S)-1-(3-but-3-ynylimidazol-4-yl)ethanamine
CID 104943123
3-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]pyridin-4-amine
CID 106327236
1-[3-(2,2-dimethylpropyl)imidazol-4-yl]ethanamine
CID 114704468
(1R)-1-[3-(2,3-dimethylbutyl)imidazol-4-yl]ethanamine
CID 104943294
3-[5-[(1S)-1-aminoethyl]imidazol-1-yl]-1-morpholin-4-ylpropan-1-one
CID 104943623
(1S)-1-[3-(2-phenylethyl)imidazol-4-yl]ethanamine
CID 104941869
(1S)-1-[3-(2-cyclopropylpropyl)imidazol-4-yl]ethanamine
CID 104943749

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]ethanamine?
The IUPAC name of 1-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]ethanamine (CID 106327244) is 1-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]ethanamine.
What is the SMILES notation for 1-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]ethanamine?
The canonical SMILES for 1-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]ethanamine is CC(N)c1cncn1CCN1CCSCC1.
What is the InChIKey of 1-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]ethanamine?
The InChIKey is HZYFMJWRMYOTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-10(12)11-8-13-9-15(11)3-2-14-4-6-16-7-5-14/h8-10H,2-7,12H2,1H3.
What are the key properties of 1-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]ethanamine?
1-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]ethanamine has a molecular weight of 240.38 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 106327244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).