1-(5-cyclohexyl-1H-imidazol-2-yl)-3-methylsulfonylpropan-1-amine

C13H23N3O2S — CID 43805721

IUPAC1-(5-cyclohexyl-1H-imidazol-2-yl)-3-methylsulfonylpropan-1-amine
SMILESCS(=O)(=O)CCC(N)c1ncc(C2CCCCC2)[nH]1
InChIInChI=1S/C13H23N3O2S/c1-19(17,18)8-7-11(14)13-15-9-12(16-13)10-5-3-2-4-6-10/h9-11H,2-8,14H2,1H3,(H,15,16)
InChIKeyIFRLHGYZNWRIQK-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.89
Rot. Bonds5

About 1-(5-cyclohexyl-1H-imidazol-2-yl)-3-methylsulfonylpropan-1-amine

1-(5-cyclohexyl-1H-imidazol-2-yl)-3-methylsulfonylpropan-1-amine (PubChem CID 43805721) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 1-(5-cyclohexyl-1H-imidazol-2-yl)-3-methylsulfonylpropan-1-amine.

Molecular Properties

Compound Name1-(5-cyclohexyl-1H-imidazol-2-yl)-3-methylsulfonylpropan-1-amine
PubChem CID43805721
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name1-(5-cyclohexyl-1H-imidazol-2-yl)-3-methylsulfonylpropan-1-amine
SMILESCS(=O)(=O)CCC(N)c1ncc(C2CCCCC2)[nH]1
InChIInChI=1S/C13H23N3O2S/c1-19(17,18)8-7-11(14)13-15-9-12(16-13)10-5-3-2-4-6-10/h9-11H,2-8,14H2,1H3,(H,15,16)
InChIKeyIFRLHGYZNWRIQK-UHFFFAOYSA-N
XLogP1.89
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclohexyl-1H-imidazol-2-yl)-3-methylsulfonylpropan-1-amine?
The IUPAC name of 1-(5-cyclohexyl-1H-imidazol-2-yl)-3-methylsulfonylpropan-1-amine (CID 43805721) is 1-(5-cyclohexyl-1H-imidazol-2-yl)-3-methylsulfonylpropan-1-amine.
What is the SMILES notation for 1-(5-cyclohexyl-1H-imidazol-2-yl)-3-methylsulfonylpropan-1-amine?
The canonical SMILES for 1-(5-cyclohexyl-1H-imidazol-2-yl)-3-methylsulfonylpropan-1-amine is CS(=O)(=O)CCC(N)c1ncc(C2CCCCC2)[nH]1.
What is the InChIKey of 1-(5-cyclohexyl-1H-imidazol-2-yl)-3-methylsulfonylpropan-1-amine?
The InChIKey is IFRLHGYZNWRIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-19(17,18)8-7-11(14)13-15-9-12(16-13)10-5-3-2-4-6-10/h9-11H,2-8,14H2,1H3,(H,15,16).
What are the key properties of 1-(5-cyclohexyl-1H-imidazol-2-yl)-3-methylsulfonylpropan-1-amine?
1-(5-cyclohexyl-1H-imidazol-2-yl)-3-methylsulfonylpropan-1-amine has a molecular weight of 285.41 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclohexyl-1H-imidazol-2-yl)-3-methylsulfonylpropan-1-amine is sourced from PubChem (CID 43805721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).