1-(3-cyclopentyloxy-2-methylpropyl)sulfonyl-3-imidazol-1-yl-4-methylpiperidine

C18H31N3O3S — CID 128510153

IUPAC1-(3-cyclopentyloxy-2-methylpropyl)sulfonyl-3-imidazol-1-yl-4-methylpiperidine
SMILESCC(COC1CCCC1)CS(=O)(=O)N1CCC(C)C(n2ccnc2)C1
InChIInChI=1S/C18H31N3O3S/c1-15(12-24-17-5-3-4-6-17)13-25(22,23)21-9-7-16(2)18(11-21)20-10-8-19-14-20/h8,10,14-18H,3-7,9,11-13H2,1-2H3
InChIKeyJHEMULOJGGUMOJ-UHFFFAOYSA-N
MW369.53 g/mol
LogP2.69
Rot. Bonds7

About 1-(3-cyclopentyloxy-2-methylpropyl)sulfonyl-3-imidazol-1-yl-4-methylpiperidine

1-(3-cyclopentyloxy-2-methylpropyl)sulfonyl-3-imidazol-1-yl-4-methylpiperidine (PubChem CID 128510153) has the molecular formula C18H31N3O3S and a molecular weight of 369.53 g/mol. Its IUPAC name is 1-(3-cyclopentyloxy-2-methylpropyl)sulfonyl-3-imidazol-1-yl-4-methylpiperidine.

Molecular Properties

Compound Name1-(3-cyclopentyloxy-2-methylpropyl)sulfonyl-3-imidazol-1-yl-4-methylpiperidine
PubChem CID128510153
Molecular FormulaC18H31N3O3S
Molecular Weight369.53 g/mol
Exact Mass369.21
IUPAC Name1-(3-cyclopentyloxy-2-methylpropyl)sulfonyl-3-imidazol-1-yl-4-methylpiperidine
SMILESCC(COC1CCCC1)CS(=O)(=O)N1CCC(C)C(n2ccnc2)C1
InChIInChI=1S/C18H31N3O3S/c1-15(12-24-17-5-3-4-6-17)13-25(22,23)21-9-7-16(2)18(11-21)20-10-8-19-14-20/h8,10,14-18H,3-7,9,11-13H2,1-2H3
InChIKeyJHEMULOJGGUMOJ-UHFFFAOYSA-N
XLogP2.69
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.53
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(3-cyclopentyloxy-2-methylpropyl)sulfonyl-3-imidazol-1-yl-4-methylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopentyloxy-2-methylpropyl)sulfonyl-3-imidazol-1-yl-4-methylpiperidine?
The IUPAC name of 1-(3-cyclopentyloxy-2-methylpropyl)sulfonyl-3-imidazol-1-yl-4-methylpiperidine (CID 128510153) is 1-(3-cyclopentyloxy-2-methylpropyl)sulfonyl-3-imidazol-1-yl-4-methylpiperidine.
What is the SMILES notation for 1-(3-cyclopentyloxy-2-methylpropyl)sulfonyl-3-imidazol-1-yl-4-methylpiperidine?
The canonical SMILES for 1-(3-cyclopentyloxy-2-methylpropyl)sulfonyl-3-imidazol-1-yl-4-methylpiperidine is CC(COC1CCCC1)CS(=O)(=O)N1CCC(C)C(n2ccnc2)C1.
What is the InChIKey of 1-(3-cyclopentyloxy-2-methylpropyl)sulfonyl-3-imidazol-1-yl-4-methylpiperidine?
The InChIKey is JHEMULOJGGUMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O3S/c1-15(12-24-17-5-3-4-6-17)13-25(22,23)21-9-7-16(2)18(11-21)20-10-8-19-14-20/h8,10,14-18H,3-7,9,11-13H2,1-2H3.
What are the key properties of 1-(3-cyclopentyloxy-2-methylpropyl)sulfonyl-3-imidazol-1-yl-4-methylpiperidine?
1-(3-cyclopentyloxy-2-methylpropyl)sulfonyl-3-imidazol-1-yl-4-methylpiperidine has a molecular weight of 369.53 g/mol, XLogP of 2.69, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopentyloxy-2-methylpropyl)sulfonyl-3-imidazol-1-yl-4-methylpiperidine is sourced from PubChem (CID 128510153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).