N-(1-methoxypropan-2-yl)-4-methyl-1-(2-methylsulfinylpropyl)imidazol-2-amine

C12H23N3O2S — CID 106581065

IUPACN-(1-methoxypropan-2-yl)-4-methyl-1-(2-methylsulfinylpropyl)imidazol-2-amine
SMILESCOCC(C)Nc1nc(C)cn1CC(C)S(C)=O
InChIInChI=1S/C12H23N3O2S/c1-9-6-15(7-11(3)18(5)16)12(13-9)14-10(2)8-17-4/h6,10-11H,7-8H2,1-5H3,(H,13,14)
InChIKeyPAXSKCFIBZDJJD-UHFFFAOYSA-N
MW273.40 g/mol
LogP1.41
Rot. Bonds7

About N-(1-methoxypropan-2-yl)-4-methyl-1-(2-methylsulfinylpropyl)imidazol-2-amine

N-(1-methoxypropan-2-yl)-4-methyl-1-(2-methylsulfinylpropyl)imidazol-2-amine (PubChem CID 106581065) has the molecular formula C12H23N3O2S and a molecular weight of 273.40 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-4-methyl-1-(2-methylsulfinylpropyl)imidazol-2-amine.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-4-methyl-1-(2-methylsulfinylpropyl)imidazol-2-amine
PubChem CID106581065
Molecular FormulaC12H23N3O2S
Molecular Weight273.40 g/mol
Exact Mass273.15
IUPAC NameN-(1-methoxypropan-2-yl)-4-methyl-1-(2-methylsulfinylpropyl)imidazol-2-amine
SMILESCOCC(C)Nc1nc(C)cn1CC(C)S(C)=O
InChIInChI=1S/C12H23N3O2S/c1-9-6-15(7-11(3)18(5)16)12(13-9)14-10(2)8-17-4/h6,10-11H,7-8H2,1-5H3,(H,13,14)
InChIKeyPAXSKCFIBZDJJD-UHFFFAOYSA-N
XLogP1.41
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-methoxypropan-2-yl)-4-methyl-1-propan-2-ylimidazol-2-amine
CID 106554828
N-ethyl-4-methyl-1-(2-methylsulfinylpropyl)imidazol-2-amine
CID 106581055
N-(3-ethoxypropyl)-4-methyl-1-(2-methylsulfinylpropyl)imidazol-2-amine
CID 106581056
1-(2,2-dimethylbutyl)-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106583486
1-(3-methoxy-2-methylpropyl)-4-methyl-N-propan-2-ylimidazol-2-amine
CID 106566653
1-[(2-ethylphenyl)methyl]-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106574539
N-(1-methoxypropan-2-yl)-4-methyl-1-(2-methyl-2-methylsulfanylpropyl)imidazol-2-amine
CID 106580909
N-(1-methoxypropan-2-yl)-4-methyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-2-amine
CID 106571808
1-[(4-fluorophenyl)methyl]-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106558864
1-[(4,5-dimethylthiophen-2-yl)methyl]-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106573869
N-(2-methoxyethyl)-4-methyl-1-(3-methylsulfinylbutyl)imidazol-2-amine
CID 106580263
N-(1-methoxypropan-2-yl)-4-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-2-amine
CID 106566093

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-4-methyl-1-(2-methylsulfinylpropyl)imidazol-2-amine?
The IUPAC name of N-(1-methoxypropan-2-yl)-4-methyl-1-(2-methylsulfinylpropyl)imidazol-2-amine (CID 106581065) is N-(1-methoxypropan-2-yl)-4-methyl-1-(2-methylsulfinylpropyl)imidazol-2-amine.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-4-methyl-1-(2-methylsulfinylpropyl)imidazol-2-amine?
The canonical SMILES for N-(1-methoxypropan-2-yl)-4-methyl-1-(2-methylsulfinylpropyl)imidazol-2-amine is COCC(C)Nc1nc(C)cn1CC(C)S(C)=O.
What is the InChIKey of N-(1-methoxypropan-2-yl)-4-methyl-1-(2-methylsulfinylpropyl)imidazol-2-amine?
The InChIKey is PAXSKCFIBZDJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S/c1-9-6-15(7-11(3)18(5)16)12(13-9)14-10(2)8-17-4/h6,10-11H,7-8H2,1-5H3,(H,13,14).
What are the key properties of N-(1-methoxypropan-2-yl)-4-methyl-1-(2-methylsulfinylpropyl)imidazol-2-amine?
N-(1-methoxypropan-2-yl)-4-methyl-1-(2-methylsulfinylpropyl)imidazol-2-amine has a molecular weight of 273.40 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-4-methyl-1-(2-methylsulfinylpropyl)imidazol-2-amine is sourced from PubChem (CID 106581065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).