2-(1H-imidazol-2-yl)-1-[2-(oxolan-3-yl)ethylsulfonyl]piperidine

C14H23N3O3S — CID 128510129

IUPAC2-(1H-imidazol-2-yl)-1-[2-(oxolan-3-yl)ethylsulfonyl]piperidine
SMILESO=S(=O)(CCC1CCOC1)N1CCCCC1c1ncc[nH]1
InChIInChI=1S/C14H23N3O3S/c18-21(19,10-5-12-4-9-20-11-12)17-8-2-1-3-13(17)14-15-6-7-16-14/h6-7,12-13H,1-5,8-11H2,(H,15,16)
InChIKeyXEDQWAHOFYFZJR-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.69
Rot. Bonds5

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

2-(1H-imidazol-2-yl)-1-[2-(oxolan-3-yl)ethylsulfonyl]piperidine (PubChem CID 128510129) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 2-(1H-imidazol-2-yl)-1-[2-(oxolan-3-yl)ethylsulfonyl]piperidine.

Molecular Properties

Compound Name2-(1H-imidazol-2-yl)-1-[2-(oxolan-3-yl)ethylsulfonyl]piperidine
PubChem CID128510129
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name2-(1H-imidazol-2-yl)-1-[2-(oxolan-3-yl)ethylsulfonyl]piperidine
SMILESO=S(=O)(CCC1CCOC1)N1CCCCC1c1ncc[nH]1
InChIInChI=1S/C14H23N3O3S/c18-21(19,10-5-12-4-9-20-11-12)17-8-2-1-3-13(17)14-15-6-7-16-14/h6-7,12-13H,1-5,8-11H2,(H,15,16)
InChIKeyXEDQWAHOFYFZJR-UHFFFAOYSA-N
XLogP1.69
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-yl)-1-[2-(oxolan-3-yl)ethylsulfonyl]piperidine?
The IUPAC name of 2-(1H-imidazol-2-yl)-1-[2-(oxolan-3-yl)ethylsulfonyl]piperidine (CID 128510129) is 2-(1H-imidazol-2-yl)-1-[2-(oxolan-3-yl)ethylsulfonyl]piperidine.
What is the SMILES notation for 2-(1H-imidazol-2-yl)-1-[2-(oxolan-3-yl)ethylsulfonyl]piperidine?
The canonical SMILES for 2-(1H-imidazol-2-yl)-1-[2-(oxolan-3-yl)ethylsulfonyl]piperidine is O=S(=O)(CCC1CCOC1)N1CCCCC1c1ncc[nH]1.
What is the InChIKey of 2-(1H-imidazol-2-yl)-1-[2-(oxolan-3-yl)ethylsulfonyl]piperidine?
The InChIKey is XEDQWAHOFYFZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c18-21(19,10-5-12-4-9-20-11-12)17-8-2-1-3-13(17)14-15-6-7-16-14/h6-7,12-13H,1-5,8-11H2,(H,15,16).
What are the key properties of 2-(1H-imidazol-2-yl)-1-[2-(oxolan-3-yl)ethylsulfonyl]piperidine?
2-(1H-imidazol-2-yl)-1-[2-(oxolan-3-yl)ethylsulfonyl]piperidine has a molecular weight of 313.42 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-yl)-1-[2-(oxolan-3-yl)ethylsulfonyl]piperidine is sourced from PubChem (CID 128510129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).