1-ethylsulfonyl-3-(1H-imidazol-2-yl)piperidine

C10H17N3O2S — CID 84586576

IUPAC1-ethylsulfonyl-3-(1H-imidazol-2-yl)piperidine
SMILESCCS(=O)(=O)N1CCCC(c2ncc[nH]2)C1
InChIInChI=1S/C10H17N3O2S/c1-2-16(14,15)13-7-3-4-9(8-13)10-11-5-6-12-10/h5-6,9H,2-4,7-8H2,1H3,(H,11,12)
InChIKeyTYVJWAWSVBICJK-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.94
Rot. Bonds3

About 1-ethylsulfonyl-3-(1H-imidazol-2-yl)piperidine

1-ethylsulfonyl-3-(1H-imidazol-2-yl)piperidine (PubChem CID 84586576) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 1-ethylsulfonyl-3-(1H-imidazol-2-yl)piperidine.

Molecular Properties

Compound Name1-ethylsulfonyl-3-(1H-imidazol-2-yl)piperidine
PubChem CID84586576
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name1-ethylsulfonyl-3-(1H-imidazol-2-yl)piperidine
SMILESCCS(=O)(=O)N1CCCC(c2ncc[nH]2)C1
InChIInChI=1S/C10H17N3O2S/c1-2-16(14,15)13-7-3-4-9(8-13)10-11-5-6-12-10/h5-6,9H,2-4,7-8H2,1H3,(H,11,12)
InChIKeyTYVJWAWSVBICJK-UHFFFAOYSA-N
XLogP0.94
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-3-(1H-imidazol-2-yl)piperidine?
The IUPAC name of 1-ethylsulfonyl-3-(1H-imidazol-2-yl)piperidine (CID 84586576) is 1-ethylsulfonyl-3-(1H-imidazol-2-yl)piperidine.
What is the SMILES notation for 1-ethylsulfonyl-3-(1H-imidazol-2-yl)piperidine?
The canonical SMILES for 1-ethylsulfonyl-3-(1H-imidazol-2-yl)piperidine is CCS(=O)(=O)N1CCCC(c2ncc[nH]2)C1.
What is the InChIKey of 1-ethylsulfonyl-3-(1H-imidazol-2-yl)piperidine?
The InChIKey is TYVJWAWSVBICJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-2-16(14,15)13-7-3-4-9(8-13)10-11-5-6-12-10/h5-6,9H,2-4,7-8H2,1H3,(H,11,12).
What are the key properties of 1-ethylsulfonyl-3-(1H-imidazol-2-yl)piperidine?
1-ethylsulfonyl-3-(1H-imidazol-2-yl)piperidine has a molecular weight of 243.33 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-3-(1H-imidazol-2-yl)piperidine is sourced from PubChem (CID 84586576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).