4-(1-methylimidazol-2-yl)sulfonylpiperidine

C9H15N3O2S — CID 71777950

IUPAC4-(1-methylimidazol-2-yl)sulfonylpiperidine
SMILESCn1ccnc1S(=O)(=O)C1CCNCC1
InChIInChI=1S/C9H15N3O2S/c1-12-7-6-11-9(12)15(13,14)8-2-4-10-5-3-8/h6-8,10H,2-5H2,1H3
InChIKeyGZVUOFSOCZMQBI-UHFFFAOYSA-N
MW229.30 g/mol
LogP-0.05
Rot. Bonds2

About 4-(1-methylimidazol-2-yl)sulfonylpiperidine

4-(1-methylimidazol-2-yl)sulfonylpiperidine (PubChem CID 71777950) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is 4-(1-methylimidazol-2-yl)sulfonylpiperidine.

Molecular Properties

Compound Name4-(1-methylimidazol-2-yl)sulfonylpiperidine
PubChem CID71777950
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Name4-(1-methylimidazol-2-yl)sulfonylpiperidine
SMILESCn1ccnc1S(=O)(=O)C1CCNCC1
InChIInChI=1S/C9H15N3O2S/c1-12-7-6-11-9(12)15(13,14)8-2-4-10-5-3-8/h6-8,10H,2-5H2,1H3
InChIKeyGZVUOFSOCZMQBI-UHFFFAOYSA-N
XLogP-0.05
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(1-methylimidazol-2-yl)sulfonylpiperidine 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 4-(1-methylimidazol-2-yl)sulfonylpiperidine?
The IUPAC name of 4-(1-methylimidazol-2-yl)sulfonylpiperidine (CID 71777950) is 4-(1-methylimidazol-2-yl)sulfonylpiperidine.
What is the SMILES notation for 4-(1-methylimidazol-2-yl)sulfonylpiperidine?
The canonical SMILES for 4-(1-methylimidazol-2-yl)sulfonylpiperidine is Cn1ccnc1S(=O)(=O)C1CCNCC1.
What is the InChIKey of 4-(1-methylimidazol-2-yl)sulfonylpiperidine?
The InChIKey is GZVUOFSOCZMQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-12-7-6-11-9(12)15(13,14)8-2-4-10-5-3-8/h6-8,10H,2-5H2,1H3.
What are the key properties of 4-(1-methylimidazol-2-yl)sulfonylpiperidine?
4-(1-methylimidazol-2-yl)sulfonylpiperidine has a molecular weight of 229.30 g/mol, XLogP of -0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylimidazol-2-yl)sulfonylpiperidine is sourced from PubChem (CID 71777950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).