1-cyclopropylsulfonyl-4-[(2-ethylimidazol-1-yl)methyl]piperidine

C14H23N3O2S — CID 71781112

IUPAC1-cyclopropylsulfonyl-4-[(2-ethylimidazol-1-yl)methyl]piperidine
SMILESCCc1nccn1CC1CCN(S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C14H23N3O2S/c1-2-14-15-7-10-16(14)11-12-5-8-17(9-6-12)20(18,19)13-3-4-13/h7,10,12-13H,2-6,8-9,11H2,1H3
InChIKeyOYRVNUPJCXDJQF-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.65
Rot. Bonds5

About 1-cyclopropylsulfonyl-4-[(2-ethylimidazol-1-yl)methyl]piperidine

1-cyclopropylsulfonyl-4-[(2-ethylimidazol-1-yl)methyl]piperidine (PubChem CID 71781112) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 1-cyclopropylsulfonyl-4-[(2-ethylimidazol-1-yl)methyl]piperidine.

Molecular Properties

Compound Name1-cyclopropylsulfonyl-4-[(2-ethylimidazol-1-yl)methyl]piperidine
PubChem CID71781112
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name1-cyclopropylsulfonyl-4-[(2-ethylimidazol-1-yl)methyl]piperidine
SMILESCCc1nccn1CC1CCN(S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C14H23N3O2S/c1-2-14-15-7-10-16(14)11-12-5-8-17(9-6-12)20(18,19)13-3-4-13/h7,10,12-13H,2-6,8-9,11H2,1H3
InChIKeyOYRVNUPJCXDJQF-UHFFFAOYSA-N
XLogP1.65
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-cyclopropylsulfonyl-4-[(2-ethylimidazol-1-yl)methyl]piperidine 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-cyclopropylsulfonyl-4-[(2-ethylimidazol-1-yl)methyl]piperidine?
The IUPAC name of 1-cyclopropylsulfonyl-4-[(2-ethylimidazol-1-yl)methyl]piperidine (CID 71781112) is 1-cyclopropylsulfonyl-4-[(2-ethylimidazol-1-yl)methyl]piperidine.
What is the SMILES notation for 1-cyclopropylsulfonyl-4-[(2-ethylimidazol-1-yl)methyl]piperidine?
The canonical SMILES for 1-cyclopropylsulfonyl-4-[(2-ethylimidazol-1-yl)methyl]piperidine is CCc1nccn1CC1CCN(S(=O)(=O)C2CC2)CC1.
What is the InChIKey of 1-cyclopropylsulfonyl-4-[(2-ethylimidazol-1-yl)methyl]piperidine?
The InChIKey is OYRVNUPJCXDJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-2-14-15-7-10-16(14)11-12-5-8-17(9-6-12)20(18,19)13-3-4-13/h7,10,12-13H,2-6,8-9,11H2,1H3.
What are the key properties of 1-cyclopropylsulfonyl-4-[(2-ethylimidazol-1-yl)methyl]piperidine?
1-cyclopropylsulfonyl-4-[(2-ethylimidazol-1-yl)methyl]piperidine has a molecular weight of 297.42 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylsulfonyl-4-[(2-ethylimidazol-1-yl)methyl]piperidine is sourced from PubChem (CID 71781112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).