1-(2-methylsulfinylpropyl)imidazol-2-amine

C7H13N3OS — CID 106581041

IUPAC1-(2-methylsulfinylpropyl)imidazol-2-amine
SMILESCC(Cn1ccnc1N)S(C)=O
InChIInChI=1S/C7H13N3OS/c1-6(12(2)11)5-10-4-3-9-7(10)8/h3-4,6H,5H2,1-2H3,(H2,8,9)
InChIKeyZHHYALIRXSGLAU-UHFFFAOYSA-N
MW187.27 g/mol
LogP0.23
Rot. Bonds3

About 1-(2-methylsulfinylpropyl)imidazol-2-amine

1-(2-methylsulfinylpropyl)imidazol-2-amine (PubChem CID 106581041) has the molecular formula C7H13N3OS and a molecular weight of 187.27 g/mol. Its IUPAC name is 1-(2-methylsulfinylpropyl)imidazol-2-amine.

Molecular Properties

Compound Name1-(2-methylsulfinylpropyl)imidazol-2-amine
PubChem CID106581041
Molecular FormulaC7H13N3OS
Molecular Weight187.27 g/mol
Exact Mass187.08
IUPAC Name1-(2-methylsulfinylpropyl)imidazol-2-amine
SMILESCC(Cn1ccnc1N)S(C)=O
InChIInChI=1S/C7H13N3OS/c1-6(12(2)11)5-10-4-3-9-7(10)8/h3-4,6H,5H2,1-2H3,(H2,8,9)
InChIKeyZHHYALIRXSGLAU-UHFFFAOYSA-N
XLogP0.23
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.27
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methylsulfinylpropan-2-yl)imidazol-2-amine
CID 106580454
1-(2-methoxybutyl)imidazol-2-amine
CID 165482307
N-ethyl-4-methyl-1-(2-methylsulfinylpropyl)imidazol-2-amine
CID 106581055
1-butylimidazol-2-amine
CID 60860613
1-pentylimidazol-2-amine
CID 61354351
1-(2-aminoimidazol-1-yl)-2-methylpropan-2-ol
CID 165463249
1-[(E)-but-2-enyl]imidazol-2-amine
CID 131607120
2-bromo-1-(2-methylpropyl)imidazole
CID 58719811
N-[1-(1-methylimidazol-2-yl)ethyl]-3-methylsulfinylbutan-1-amine
CID 115901512
4-(2-aminoimidazol-1-yl)butanal
CID 55253480
1-(3,3-dimethylbutan-2-yl)imidazol-2-amine
CID 106580832
2-(2-aminoimidazol-1-yl)-N-tert-butylacetamide
CID 165483273

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfinylpropyl)imidazol-2-amine?
The IUPAC name of 1-(2-methylsulfinylpropyl)imidazol-2-amine (CID 106581041) is 1-(2-methylsulfinylpropyl)imidazol-2-amine.
What is the SMILES notation for 1-(2-methylsulfinylpropyl)imidazol-2-amine?
The canonical SMILES for 1-(2-methylsulfinylpropyl)imidazol-2-amine is CC(Cn1ccnc1N)S(C)=O.
What is the InChIKey of 1-(2-methylsulfinylpropyl)imidazol-2-amine?
The InChIKey is ZHHYALIRXSGLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3OS/c1-6(12(2)11)5-10-4-3-9-7(10)8/h3-4,6H,5H2,1-2H3,(H2,8,9).
What are the key properties of 1-(2-methylsulfinylpropyl)imidazol-2-amine?
1-(2-methylsulfinylpropyl)imidazol-2-amine has a molecular weight of 187.27 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfinylpropyl)imidazol-2-amine is sourced from PubChem (CID 106581041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).