2-methyl-1-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]propan-1-amine

C13H24N4S — CID 114174001

IUPAC2-methyl-1-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]propan-1-amine
SMILESCC(C)C(N)c1cncn1CCN1CCSCC1
InChIInChI=1S/C13H24N4S/c1-11(2)13(14)12-9-15-10-17(12)4-3-16-5-7-18-8-6-16/h9-11,13H,3-8,14H2,1-2H3
InChIKeySVQXUANQERCKDM-UHFFFAOYSA-N
MW268.43 g/mol
LogP1.59
Rot. Bonds5

About 2-methyl-1-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]propan-1-amine

2-methyl-1-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]propan-1-amine (PubChem CID 114174001) has the molecular formula C13H24N4S and a molecular weight of 268.43 g/mol. Its IUPAC name is 2-methyl-1-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-1-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]propan-1-amine
PubChem CID114174001
Molecular FormulaC13H24N4S
Molecular Weight268.43 g/mol
Exact Mass268.17
IUPAC Name2-methyl-1-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]propan-1-amine
SMILESCC(C)C(N)c1cncn1CCN1CCSCC1
InChIInChI=1S/C13H24N4S/c1-11(2)13(14)12-9-15-10-17(12)4-3-16-5-7-18-8-6-16/h9-11,13H,3-8,14H2,1-2H3
InChIKeySVQXUANQERCKDM-UHFFFAOYSA-N
XLogP1.59
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]ethanamine
CID 106327244
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
1-[3-(2-methoxyethyl)imidazol-4-yl]-2-methylpropan-1-amine
CID 102969486
1-[3-(2-ethylbutyl)imidazol-4-yl]-2-methylpropan-1-amine
CID 102969891
2-methyl-1-[3-(2-methylsulfanylethyl)imidazol-4-yl]propan-1-amine
CID 102969725
3-[5-(1-amino-2-methylpropyl)imidazol-1-yl]propanamide
CID 102969533
2-methyl-1-[3-(5-methylsulfanylpentyl)imidazol-4-yl]propan-1-amine
CID 114128184
3-[5-(1-amino-2-methylpropyl)imidazol-1-yl]-N-ethylpropanamide
CID 102969836
3-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]pyridin-4-amine
CID 106327236
2-methyl-1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]propan-1-amine
CID 102969605
2-methyl-1-[3-(oxolan-2-ylmethyl)imidazol-4-yl]propan-1-amine
CID 102969393

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]propan-1-amine?
The IUPAC name of 2-methyl-1-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]propan-1-amine (CID 114174001) is 2-methyl-1-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]propan-1-amine.
What is the SMILES notation for 2-methyl-1-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]propan-1-amine?
The canonical SMILES for 2-methyl-1-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]propan-1-amine is CC(C)C(N)c1cncn1CCN1CCSCC1.
What is the InChIKey of 2-methyl-1-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]propan-1-amine?
The InChIKey is SVQXUANQERCKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4S/c1-11(2)13(14)12-9-15-10-17(12)4-3-16-5-7-18-8-6-16/h9-11,13H,3-8,14H2,1-2H3.
What are the key properties of 2-methyl-1-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]propan-1-amine?
2-methyl-1-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]propan-1-amine has a molecular weight of 268.43 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]propan-1-amine is sourced from PubChem (CID 114174001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).