4-methyl-1-(1-methylsulfinylpropan-2-yl)-N-prop-2-enylimidazol-2-amine

C11H19N3OS — CID 106580475

IUPAC4-methyl-1-(1-methylsulfinylpropan-2-yl)-N-prop-2-enylimidazol-2-amine
SMILESC=CCNc1nc(C)cn1C(C)CS(C)=O
InChIInChI=1S/C11H19N3OS/c1-5-6-12-11-13-9(2)7-14(11)10(3)8-16(4)15/h5,7,10H,1,6,8H2,2-4H3,(H,12,13)
InChIKeyMMDODGNBNUAJGF-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.73
Rot. Bonds6

About 4-methyl-1-(1-methylsulfinylpropan-2-yl)-N-prop-2-enylimidazol-2-amine

4-methyl-1-(1-methylsulfinylpropan-2-yl)-N-prop-2-enylimidazol-2-amine (PubChem CID 106580475) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 4-methyl-1-(1-methylsulfinylpropan-2-yl)-N-prop-2-enylimidazol-2-amine.

Molecular Properties

Compound Name4-methyl-1-(1-methylsulfinylpropan-2-yl)-N-prop-2-enylimidazol-2-amine
PubChem CID106580475
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name4-methyl-1-(1-methylsulfinylpropan-2-yl)-N-prop-2-enylimidazol-2-amine
SMILESC=CCNc1nc(C)cn1C(C)CS(C)=O
InChIInChI=1S/C11H19N3OS/c1-5-6-12-11-13-9(2)7-14(11)10(3)8-16(4)15/h5,7,10H,1,6,8H2,2-4H3,(H,12,13)
InChIKeyMMDODGNBNUAJGF-UHFFFAOYSA-N
XLogP1.73
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(1-methylsulfinylpropan-2-yl)-N-prop-2-enylimidazol-2-amine?
The IUPAC name of 4-methyl-1-(1-methylsulfinylpropan-2-yl)-N-prop-2-enylimidazol-2-amine (CID 106580475) is 4-methyl-1-(1-methylsulfinylpropan-2-yl)-N-prop-2-enylimidazol-2-amine.
What is the SMILES notation for 4-methyl-1-(1-methylsulfinylpropan-2-yl)-N-prop-2-enylimidazol-2-amine?
The canonical SMILES for 4-methyl-1-(1-methylsulfinylpropan-2-yl)-N-prop-2-enylimidazol-2-amine is C=CCNc1nc(C)cn1C(C)CS(C)=O.
What is the InChIKey of 4-methyl-1-(1-methylsulfinylpropan-2-yl)-N-prop-2-enylimidazol-2-amine?
The InChIKey is MMDODGNBNUAJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-5-6-12-11-13-9(2)7-14(11)10(3)8-16(4)15/h5,7,10H,1,6,8H2,2-4H3,(H,12,13).
What are the key properties of 4-methyl-1-(1-methylsulfinylpropan-2-yl)-N-prop-2-enylimidazol-2-amine?
4-methyl-1-(1-methylsulfinylpropan-2-yl)-N-prop-2-enylimidazol-2-amine has a molecular weight of 241.36 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(1-methylsulfinylpropan-2-yl)-N-prop-2-enylimidazol-2-amine is sourced from PubChem (CID 106580475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).