1-(1-methylsulfinylpropan-2-yl)imidazol-2-amine

C7H13N3OS — CID 106580454

IUPAC1-(1-methylsulfinylpropan-2-yl)imidazol-2-amine
SMILESCC(CS(C)=O)n1ccnc1N
InChIInChI=1S/C7H13N3OS/c1-6(5-12(2)11)10-4-3-9-7(10)8/h3-4,6H,5H2,1-2H3,(H2,8,9)
InChIKeyISIZLRIQUNJHJK-UHFFFAOYSA-N
MW187.27 g/mol
LogP0.40
Rot. Bonds3

About 1-(1-methylsulfinylpropan-2-yl)imidazol-2-amine

1-(1-methylsulfinylpropan-2-yl)imidazol-2-amine (PubChem CID 106580454) has the molecular formula C7H13N3OS and a molecular weight of 187.27 g/mol. Its IUPAC name is 1-(1-methylsulfinylpropan-2-yl)imidazol-2-amine.

Molecular Properties

Compound Name1-(1-methylsulfinylpropan-2-yl)imidazol-2-amine
PubChem CID106580454
Molecular FormulaC7H13N3OS
Molecular Weight187.27 g/mol
Exact Mass187.08
IUPAC Name1-(1-methylsulfinylpropan-2-yl)imidazol-2-amine
SMILESCC(CS(C)=O)n1ccnc1N
InChIInChI=1S/C7H13N3OS/c1-6(5-12(2)11)10-4-3-9-7(10)8/h3-4,6H,5H2,1-2H3,(H2,8,9)
InChIKeyISIZLRIQUNJHJK-UHFFFAOYSA-N
XLogP0.40
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 ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methylsulfinylpropan-2-yl)-1,2,4-triazol-3-amine
CID 130948909
1-(2-methylsulfinylpropyl)imidazol-2-amine
CID 106581041
1-(3,3-dimethylbutan-2-yl)imidazol-2-amine
CID 106580832
1-hexan-3-ylimidazol-2-amine
CID 106569829
1-[1-(dimethylamino)-4-methylpentan-2-yl]imidazol-2-amine
CID 106564771
2-(2-aminoimidazol-1-yl)-3,3-diethoxypropanenitrile
CID 135226355
5-bromo-1-(1-methylsulfinylpropan-2-yl)benzimidazol-2-amine
CID 113486569
3-methyl-2-(2-methylimidazol-1-yl)butan-1-amine
CID 62446670
4-methyl-1-(1-methylsulfinylpropan-2-yl)-N-prop-2-enylimidazol-2-amine
CID 106580475
(3R)-3-(2-methylimidazol-1-yl)butanoate
CID 6940829
3-(1-methylsulfinylpropan-2-ylamino)-1-propylpyrazin-2-one
CID 113486538
carbon dioxide;1-methylimidazol-2-amine
CID 159291040

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylsulfinylpropan-2-yl)imidazol-2-amine?
The IUPAC name of 1-(1-methylsulfinylpropan-2-yl)imidazol-2-amine (CID 106580454) is 1-(1-methylsulfinylpropan-2-yl)imidazol-2-amine.
What is the SMILES notation for 1-(1-methylsulfinylpropan-2-yl)imidazol-2-amine?
The canonical SMILES for 1-(1-methylsulfinylpropan-2-yl)imidazol-2-amine is CC(CS(C)=O)n1ccnc1N.
What is the InChIKey of 1-(1-methylsulfinylpropan-2-yl)imidazol-2-amine?
The InChIKey is ISIZLRIQUNJHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3OS/c1-6(5-12(2)11)10-4-3-9-7(10)8/h3-4,6H,5H2,1-2H3,(H2,8,9).
What are the key properties of 1-(1-methylsulfinylpropan-2-yl)imidazol-2-amine?
1-(1-methylsulfinylpropan-2-yl)imidazol-2-amine has a molecular weight of 187.27 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylsulfinylpropan-2-yl)imidazol-2-amine is sourced from PubChem (CID 106580454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).