1-propylsulfonyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine

C12H18F3N3O2S — CID 71997400

IUPAC1-propylsulfonyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
SMILESCCCS(=O)(=O)N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1
InChIInChI=1S/C12H18F3N3O2S/c1-2-7-21(19,20)18-5-3-9(4-6-18)11-16-8-10(17-11)12(13,14)15/h8-9H,2-7H2,1H3,(H,16,17)
InChIKeyLOOUYJYQBRILBY-UHFFFAOYSA-N
MW325.36 g/mol
LogP2.35
Rot. Bonds4

About 1-propylsulfonyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine

1-propylsulfonyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine (PubChem CID 71997400) has the molecular formula C12H18F3N3O2S and a molecular weight of 325.36 g/mol. Its IUPAC name is 1-propylsulfonyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine.

Molecular Properties

Compound Name1-propylsulfonyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
PubChem CID71997400
Molecular FormulaC12H18F3N3O2S
Molecular Weight325.36 g/mol
Exact Mass325.11
IUPAC Name1-propylsulfonyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
SMILESCCCS(=O)(=O)N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1
InChIInChI=1S/C12H18F3N3O2S/c1-2-7-21(19,20)18-5-3-9(4-6-18)11-16-8-10(17-11)12(13,14)15/h8-9H,2-7H2,1H3,(H,16,17)
InChIKeyLOOUYJYQBRILBY-UHFFFAOYSA-N
XLogP2.35
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propylsulfonyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine?
The IUPAC name of 1-propylsulfonyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine (CID 71997400) is 1-propylsulfonyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine.
What is the SMILES notation for 1-propylsulfonyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine?
The canonical SMILES for 1-propylsulfonyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine is CCCS(=O)(=O)N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1.
What is the InChIKey of 1-propylsulfonyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine?
The InChIKey is LOOUYJYQBRILBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O2S/c1-2-7-21(19,20)18-5-3-9(4-6-18)11-16-8-10(17-11)12(13,14)15/h8-9H,2-7H2,1H3,(H,16,17).
What are the key properties of 1-propylsulfonyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine?
1-propylsulfonyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine has a molecular weight of 325.36 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylsulfonyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine is sourced from PubChem (CID 71997400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).