4-(1H-imidazol-2-yl)-1-methylsulfonylpiperidine

C9H15N3O2S — CID 59909350

IUPAC4-(1H-imidazol-2-yl)-1-methylsulfonylpiperidine
SMILESCS(=O)(=O)N1CCC(c2ncc[nH]2)CC1
InChIInChI=1S/C9H15N3O2S/c1-15(13,14)12-6-2-8(3-7-12)9-10-4-5-11-9/h4-5,8H,2-3,6-7H2,1H3,(H,10,11)
InChIKeyFZGALTSDBATTIK-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.55
Rot. Bonds2

About 4-(1H-imidazol-2-yl)-1-methylsulfonylpiperidine

4-(1H-imidazol-2-yl)-1-methylsulfonylpiperidine (PubChem CID 59909350) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is 4-(1H-imidazol-2-yl)-1-methylsulfonylpiperidine.

Molecular Properties

Compound Name4-(1H-imidazol-2-yl)-1-methylsulfonylpiperidine
PubChem CID59909350
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Name4-(1H-imidazol-2-yl)-1-methylsulfonylpiperidine
SMILESCS(=O)(=O)N1CCC(c2ncc[nH]2)CC1
InChIInChI=1S/C9H15N3O2S/c1-15(13,14)12-6-2-8(3-7-12)9-10-4-5-11-9/h4-5,8H,2-3,6-7H2,1H3,(H,10,11)
InChIKeyFZGALTSDBATTIK-UHFFFAOYSA-N
XLogP0.55
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-2-yl)-1-methylsulfonylpiperidine?
The IUPAC name of 4-(1H-imidazol-2-yl)-1-methylsulfonylpiperidine (CID 59909350) is 4-(1H-imidazol-2-yl)-1-methylsulfonylpiperidine.
What is the SMILES notation for 4-(1H-imidazol-2-yl)-1-methylsulfonylpiperidine?
The canonical SMILES for 4-(1H-imidazol-2-yl)-1-methylsulfonylpiperidine is CS(=O)(=O)N1CCC(c2ncc[nH]2)CC1.
What is the InChIKey of 4-(1H-imidazol-2-yl)-1-methylsulfonylpiperidine?
The InChIKey is FZGALTSDBATTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-15(13,14)12-6-2-8(3-7-12)9-10-4-5-11-9/h4-5,8H,2-3,6-7H2,1H3,(H,10,11).
What are the key properties of 4-(1H-imidazol-2-yl)-1-methylsulfonylpiperidine?
4-(1H-imidazol-2-yl)-1-methylsulfonylpiperidine has a molecular weight of 229.30 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-2-yl)-1-methylsulfonylpiperidine is sourced from PubChem (CID 59909350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).