4-tert-butyl-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine

C14H25N3O2S — CID 58395092

IUPAC4-tert-butyl-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine
SMILESCc1nc(S(=O)(=O)N2CCC(C(C)(C)C)CC2)cn1C
InChIInChI=1S/C14H25N3O2S/c1-11-15-13(10-16(11)5)20(18,19)17-8-6-12(7-9-17)14(2,3)4/h10,12H,6-9H2,1-5H3
InChIKeyGLNAIJBIMTUOOE-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.18
Rot. Bonds2

About 4-tert-butyl-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine

4-tert-butyl-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine (PubChem CID 58395092) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is 4-tert-butyl-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine.

Molecular Properties

Compound Name4-tert-butyl-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine
PubChem CID58395092
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name4-tert-butyl-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine
SMILESCc1nc(S(=O)(=O)N2CCC(C(C)(C)C)CC2)cn1C
InChIInChI=1S/C14H25N3O2S/c1-11-15-13(10-16(11)5)20(18,19)17-8-6-12(7-9-17)14(2,3)4/h10,12H,6-9H2,1-5H3
InChIKeyGLNAIJBIMTUOOE-UHFFFAOYSA-N
XLogP2.18
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine?
The IUPAC name of 4-tert-butyl-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine (CID 58395092) is 4-tert-butyl-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine.
What is the SMILES notation for 4-tert-butyl-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine?
The canonical SMILES for 4-tert-butyl-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine is Cc1nc(S(=O)(=O)N2CCC(C(C)(C)C)CC2)cn1C.
What is the InChIKey of 4-tert-butyl-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine?
The InChIKey is GLNAIJBIMTUOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-11-15-13(10-16(11)5)20(18,19)17-8-6-12(7-9-17)14(2,3)4/h10,12H,6-9H2,1-5H3.
What are the key properties of 4-tert-butyl-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine?
4-tert-butyl-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine has a molecular weight of 299.44 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine is sourced from PubChem (CID 58395092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).