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

C8H13N3O2S — CID 6619508

IUPAC1-(1H-imidazol-5-ylsulfonyl)piperidine
SMILESO=S(=O)(c1cnc[nH]1)N1CCCCC1
InChIInChI=1S/C8H13N3O2S/c12-14(13,8-6-9-7-10-8)11-4-2-1-3-5-11/h6-7H,1-5H2,(H,9,10)
InChIKeyVBJGSBBFUYFEIL-UHFFFAOYSA-N
MW215.28 g/mol
LogP0.58
Rot. Bonds2

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

1-(1H-imidazol-5-ylsulfonyl)piperidine (PubChem CID 6619508) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is 1-(1H-imidazol-5-ylsulfonyl)piperidine.

Molecular Properties

Compound Name1-(1H-imidazol-5-ylsulfonyl)piperidine
PubChem CID6619508
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Name1-(1H-imidazol-5-ylsulfonyl)piperidine
SMILESO=S(=O)(c1cnc[nH]1)N1CCCCC1
InChIInChI=1S/C8H13N3O2S/c12-14(13,8-6-9-7-10-8)11-4-2-1-3-5-11/h6-7H,1-5H2,(H,9,10)
InChIKeyVBJGSBBFUYFEIL-UHFFFAOYSA-N
XLogP0.58
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1H-imidazol-5-ylsulfonyl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-ylsulfonyl)piperidine?
The IUPAC name of 1-(1H-imidazol-5-ylsulfonyl)piperidine (CID 6619508) is 1-(1H-imidazol-5-ylsulfonyl)piperidine.
What is the SMILES notation for 1-(1H-imidazol-5-ylsulfonyl)piperidine?
The canonical SMILES for 1-(1H-imidazol-5-ylsulfonyl)piperidine is O=S(=O)(c1cnc[nH]1)N1CCCCC1.
What is the InChIKey of 1-(1H-imidazol-5-ylsulfonyl)piperidine?
The InChIKey is VBJGSBBFUYFEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c12-14(13,8-6-9-7-10-8)11-4-2-1-3-5-11/h6-7H,1-5H2,(H,9,10).
What are the key properties of 1-(1H-imidazol-5-ylsulfonyl)piperidine?
1-(1H-imidazol-5-ylsulfonyl)piperidine has a molecular weight of 215.28 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-ylsulfonyl)piperidine is sourced from PubChem (CID 6619508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).