4-(fluoromethyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine

C9H14FN3O2S — CID 155976697

IUPAC4-(fluoromethyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine
SMILESO=S(=O)(c1cnc[nH]1)N1CCC(CF)CC1
InChIInChI=1S/C9H14FN3O2S/c10-5-8-1-3-13(4-2-8)16(14,15)9-6-11-7-12-9/h6-8H,1-5H2,(H,11,12)
InChIKeyFQMZUGSGJFZERV-UHFFFAOYSA-N
MW247.29 g/mol
LogP0.78
Rot. Bonds3

About 4-(fluoromethyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine

4-(fluoromethyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine (PubChem CID 155976697) has the molecular formula C9H14FN3O2S and a molecular weight of 247.29 g/mol. Its IUPAC name is 4-(fluoromethyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine.

Molecular Properties

Compound Name4-(fluoromethyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine
PubChem CID155976697
Molecular FormulaC9H14FN3O2S
Molecular Weight247.29 g/mol
Exact Mass247.08
IUPAC Name4-(fluoromethyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine
SMILESO=S(=O)(c1cnc[nH]1)N1CCC(CF)CC1
InChIInChI=1S/C9H14FN3O2S/c10-5-8-1-3-13(4-2-8)16(14,15)9-6-11-7-12-9/h6-8H,1-5H2,(H,11,12)
InChIKeyFQMZUGSGJFZERV-UHFFFAOYSA-N
XLogP0.78
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine?
The IUPAC name of 4-(fluoromethyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine (CID 155976697) is 4-(fluoromethyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine.
What is the SMILES notation for 4-(fluoromethyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine?
The canonical SMILES for 4-(fluoromethyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine is O=S(=O)(c1cnc[nH]1)N1CCC(CF)CC1.
What is the InChIKey of 4-(fluoromethyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine?
The InChIKey is FQMZUGSGJFZERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3O2S/c10-5-8-1-3-13(4-2-8)16(14,15)9-6-11-7-12-9/h6-8H,1-5H2,(H,11,12).
What are the key properties of 4-(fluoromethyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine?
4-(fluoromethyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine has a molecular weight of 247.29 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine is sourced from PubChem (CID 155976697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).