4-[(5-methyl-1-propylimidazol-2-yl)methyl]-1-methylsulfonylpiperidine

C14H25N3O2S — CID 91923934

IUPAC4-[(5-methyl-1-propylimidazol-2-yl)methyl]-1-methylsulfonylpiperidine
SMILESCCCn1c(C)cnc1CC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C14H25N3O2S/c1-4-7-17-12(2)11-15-14(17)10-13-5-8-16(9-6-13)20(3,18)19/h11,13H,4-10H2,1-3H3
InChIKeyZUCIJZAWZIDZNT-UHFFFAOYSA-N
MW299.44 g/mol
LogP1.82
Rot. Bonds5

About 4-[(5-methyl-1-propylimidazol-2-yl)methyl]-1-methylsulfonylpiperidine

4-[(5-methyl-1-propylimidazol-2-yl)methyl]-1-methylsulfonylpiperidine (PubChem CID 91923934) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is 4-[(5-methyl-1-propylimidazol-2-yl)methyl]-1-methylsulfonylpiperidine.

Molecular Properties

Compound Name4-[(5-methyl-1-propylimidazol-2-yl)methyl]-1-methylsulfonylpiperidine
PubChem CID91923934
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name4-[(5-methyl-1-propylimidazol-2-yl)methyl]-1-methylsulfonylpiperidine
SMILESCCCn1c(C)cnc1CC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C14H25N3O2S/c1-4-7-17-12(2)11-15-14(17)10-13-5-8-16(9-6-13)20(3,18)19/h11,13H,4-10H2,1-3H3
InChIKeyZUCIJZAWZIDZNT-UHFFFAOYSA-N
XLogP1.82
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-1-propylimidazol-2-yl)methyl]-1-methylsulfonylpiperidine?
The IUPAC name of 4-[(5-methyl-1-propylimidazol-2-yl)methyl]-1-methylsulfonylpiperidine (CID 91923934) is 4-[(5-methyl-1-propylimidazol-2-yl)methyl]-1-methylsulfonylpiperidine.
What is the SMILES notation for 4-[(5-methyl-1-propylimidazol-2-yl)methyl]-1-methylsulfonylpiperidine?
The canonical SMILES for 4-[(5-methyl-1-propylimidazol-2-yl)methyl]-1-methylsulfonylpiperidine is CCCn1c(C)cnc1CC1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 4-[(5-methyl-1-propylimidazol-2-yl)methyl]-1-methylsulfonylpiperidine?
The InChIKey is ZUCIJZAWZIDZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-4-7-17-12(2)11-15-14(17)10-13-5-8-16(9-6-13)20(3,18)19/h11,13H,4-10H2,1-3H3.
What are the key properties of 4-[(5-methyl-1-propylimidazol-2-yl)methyl]-1-methylsulfonylpiperidine?
4-[(5-methyl-1-propylimidazol-2-yl)methyl]-1-methylsulfonylpiperidine has a molecular weight of 299.44 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-1-propylimidazol-2-yl)methyl]-1-methylsulfonylpiperidine is sourced from PubChem (CID 91923934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).