N-cyclopentyl-4-methyl-1-(3-methylsulfinylpropyl)imidazol-2-amine

C13H23N3OS — CID 106580537

IUPACN-cyclopentyl-4-methyl-1-(3-methylsulfinylpropyl)imidazol-2-amine
SMILESCc1cn(CCCS(C)=O)c(NC2CCCC2)n1
InChIInChI=1S/C13H23N3OS/c1-11-10-16(8-5-9-18(2)17)13(14-11)15-12-6-3-4-7-12/h10,12H,3-9H2,1-2H3,(H,14,15)
InChIKeyZQAHNTYRBKIHNO-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.31
Rot. Bonds6

About N-cyclopentyl-4-methyl-1-(3-methylsulfinylpropyl)imidazol-2-amine

N-cyclopentyl-4-methyl-1-(3-methylsulfinylpropyl)imidazol-2-amine (PubChem CID 106580537) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is N-cyclopentyl-4-methyl-1-(3-methylsulfinylpropyl)imidazol-2-amine.

Molecular Properties

Compound NameN-cyclopentyl-4-methyl-1-(3-methylsulfinylpropyl)imidazol-2-amine
PubChem CID106580537
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC NameN-cyclopentyl-4-methyl-1-(3-methylsulfinylpropyl)imidazol-2-amine
SMILESCc1cn(CCCS(C)=O)c(NC2CCCC2)n1
InChIInChI=1S/C13H23N3OS/c1-11-10-16(8-5-9-18(2)17)13(14-11)15-12-6-3-4-7-12/h10,12H,3-9H2,1-2H3,(H,14,15)
InChIKeyZQAHNTYRBKIHNO-UHFFFAOYSA-N
XLogP2.31
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-4-methyl-1-(3-pyrrolidin-1-ylpropyl)imidazol-2-amine
CID 106572074
N-cyclopentyl-1-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106554862
N-cyclooctyl-4-methyl-1-propylimidazol-2-amine
CID 106557173
N-cyclopentyl-1-[4-(dimethylamino)butyl]-4-methylimidazol-2-amine
CID 106565566
N-cyclopentyl-4-methyl-1-(4,4,4-trifluorobutyl)imidazol-2-amine
CID 106579134
N-cyclohexyl-4-methyl-1-(5-methylhexyl)imidazol-2-amine
CID 106578468
N-cyclopentyl-4-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-2-amine
CID 106582996
N-cyclopentyl-4-methyl-1-(3-pyrazol-1-ylpropyl)imidazol-2-amine
CID 106579652
N-cyclopropyl-1-(3-methylsulfinylpropyl)imidazol-2-amine
CID 106580550
N-cyclohexyl-4-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-2-amine
CID 106583003
N-cyclopropyl-1-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106554952
N-cyclopentyl-4-methyl-1-(2-pyrazol-1-ylethyl)imidazol-2-amine
CID 106568575

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-methyl-1-(3-methylsulfinylpropyl)imidazol-2-amine?
The IUPAC name of N-cyclopentyl-4-methyl-1-(3-methylsulfinylpropyl)imidazol-2-amine (CID 106580537) is N-cyclopentyl-4-methyl-1-(3-methylsulfinylpropyl)imidazol-2-amine.
What is the SMILES notation for N-cyclopentyl-4-methyl-1-(3-methylsulfinylpropyl)imidazol-2-amine?
The canonical SMILES for N-cyclopentyl-4-methyl-1-(3-methylsulfinylpropyl)imidazol-2-amine is Cc1cn(CCCS(C)=O)c(NC2CCCC2)n1.
What is the InChIKey of N-cyclopentyl-4-methyl-1-(3-methylsulfinylpropyl)imidazol-2-amine?
The InChIKey is ZQAHNTYRBKIHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-11-10-16(8-5-9-18(2)17)13(14-11)15-12-6-3-4-7-12/h10,12H,3-9H2,1-2H3,(H,14,15).
What are the key properties of N-cyclopentyl-4-methyl-1-(3-methylsulfinylpropyl)imidazol-2-amine?
N-cyclopentyl-4-methyl-1-(3-methylsulfinylpropyl)imidazol-2-amine has a molecular weight of 269.41 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-methyl-1-(3-methylsulfinylpropyl)imidazol-2-amine is sourced from PubChem (CID 106580537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).