4-methyl-N-(2-methylsulfinylethyl)-1-propylimidazol-2-amine

C10H19N3OS — CID 106581398

IUPAC4-methyl-N-(2-methylsulfinylethyl)-1-propylimidazol-2-amine
SMILESCCCn1cc(C)nc1NCCS(C)=O
InChIInChI=1S/C10H19N3OS/c1-4-6-13-8-9(2)12-10(13)11-5-7-15(3)14/h8H,4-7H2,1-3H3,(H,11,12)
InChIKeyXDDJZFTUMZZJFN-UHFFFAOYSA-N
MW229.35 g/mol
LogP1.39
Rot. Bonds6

About 4-methyl-N-(2-methylsulfinylethyl)-1-propylimidazol-2-amine

4-methyl-N-(2-methylsulfinylethyl)-1-propylimidazol-2-amine (PubChem CID 106581398) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is 4-methyl-N-(2-methylsulfinylethyl)-1-propylimidazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-(2-methylsulfinylethyl)-1-propylimidazol-2-amine
PubChem CID106581398
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name4-methyl-N-(2-methylsulfinylethyl)-1-propylimidazol-2-amine
SMILESCCCn1cc(C)nc1NCCS(C)=O
InChIInChI=1S/C10H19N3OS/c1-4-6-13-8-9(2)12-10(13)11-5-7-15(3)14/h8H,4-7H2,1-3H3,(H,11,12)
InChIKeyXDDJZFTUMZZJFN-UHFFFAOYSA-N
XLogP1.39
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-methyl-1-(2-methylsulfinylethyl)imidazol-2-amine
CID 106581380
N-(2-cyclobutylethyl)-4-methyl-1-propylimidazol-2-amine
CID 106580756
N-[2-(2-methoxyethoxy)ethyl]-4-methyl-1-propylimidazol-2-amine
CID 106564440
4-methyl-N-(2-methylsulfinylethyl)-1-phenylimidazol-2-amine
CID 106581417
1-butyl-4-methyl-N-octylimidazol-2-amine
CID 106578853
4-methyl-1-(3-methylbutyl)-N-propylimidazol-2-amine
CID 106557292
4-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-1-propylimidazol-2-amine
CID 106581942
1-decyl-N-ethyl-4-methylimidazol-2-amine
CID 106578047
4-methyl-1-propyl-N-[2-(1,3-thiazol-4-yl)ethyl]imidazol-2-amine
CID 106572643
1-(2-methoxyethyl)-4-methyl-N-octylimidazol-2-amine
CID 106578866
4-methyl-N-propyl-1-(2-pyridin-4-ylethyl)imidazol-2-amine
CID 106563289
N-butyl-4-methyl-1-(3-methylbutyl)imidazol-2-amine
CID 106557291

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methylsulfinylethyl)-1-propylimidazol-2-amine?
The IUPAC name of 4-methyl-N-(2-methylsulfinylethyl)-1-propylimidazol-2-amine (CID 106581398) is 4-methyl-N-(2-methylsulfinylethyl)-1-propylimidazol-2-amine.
What is the SMILES notation for 4-methyl-N-(2-methylsulfinylethyl)-1-propylimidazol-2-amine?
The canonical SMILES for 4-methyl-N-(2-methylsulfinylethyl)-1-propylimidazol-2-amine is CCCn1cc(C)nc1NCCS(C)=O.
What is the InChIKey of 4-methyl-N-(2-methylsulfinylethyl)-1-propylimidazol-2-amine?
The InChIKey is XDDJZFTUMZZJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-4-6-13-8-9(2)12-10(13)11-5-7-15(3)14/h8H,4-7H2,1-3H3,(H,11,12).
What are the key properties of 4-methyl-N-(2-methylsulfinylethyl)-1-propylimidazol-2-amine?
4-methyl-N-(2-methylsulfinylethyl)-1-propylimidazol-2-amine has a molecular weight of 229.35 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methylsulfinylethyl)-1-propylimidazol-2-amine is sourced from PubChem (CID 106581398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).