3-methyl-1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidine

C15H27N3O2S — CID 45217456

IUPAC3-methyl-1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidine
SMILESCC(C)Cn1c(CN2CCCC(C)C2)cnc1S(C)(=O)=O
InChIInChI=1S/C15H27N3O2S/c1-12(2)9-18-14(8-16-15(18)21(4,19)20)11-17-7-5-6-13(3)10-17/h8,12-13H,5-7,9-11H2,1-4H3
InChIKeyRKGSWCFPUUEOSV-UHFFFAOYSA-N
MW313.47 g/mol
LogP2.17
Rot. Bonds5

About 3-methyl-1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidine

3-methyl-1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidine (PubChem CID 45217456) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is 3-methyl-1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidine.

Molecular Properties

Compound Name3-methyl-1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidine
PubChem CID45217456
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC Name3-methyl-1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidine
SMILESCC(C)Cn1c(CN2CCCC(C)C2)cnc1S(C)(=O)=O
InChIInChI=1S/C15H27N3O2S/c1-12(2)9-18-14(8-16-15(18)21(4,19)20)11-17-7-5-6-13(3)10-17/h8,12-13H,5-7,9-11H2,1-4H3
InChIKeyRKGSWCFPUUEOSV-UHFFFAOYSA-N
XLogP2.17
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidine?
The IUPAC name of 3-methyl-1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidine (CID 45217456) is 3-methyl-1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidine.
What is the SMILES notation for 3-methyl-1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidine?
The canonical SMILES for 3-methyl-1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidine is CC(C)Cn1c(CN2CCCC(C)C2)cnc1S(C)(=O)=O.
What is the InChIKey of 3-methyl-1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidine?
The InChIKey is RKGSWCFPUUEOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-12(2)9-18-14(8-16-15(18)21(4,19)20)11-17-7-5-6-13(3)10-17/h8,12-13H,5-7,9-11H2,1-4H3.
What are the key properties of 3-methyl-1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidine?
3-methyl-1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidine has a molecular weight of 313.47 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidine is sourced from PubChem (CID 45217456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).