1-(1H-imidazol-5-ylsulfonyl)-4-methylpiperidine

C9H15N3O2S — CID 6621960

IUPAC1-(1H-imidazol-5-ylsulfonyl)-4-methylpiperidine
SMILESCC1CCN(S(=O)(=O)c2cnc[nH]2)CC1
InChIInChI=1S/C9H15N3O2S/c1-8-2-4-12(5-3-8)15(13,14)9-6-10-7-11-9/h6-8H,2-5H2,1H3,(H,10,11)
InChIKeyOBDAWSZQROSJMS-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.83
Rot. Bonds2

About 1-(1H-imidazol-5-ylsulfonyl)-4-methylpiperidine

1-(1H-imidazol-5-ylsulfonyl)-4-methylpiperidine (PubChem CID 6621960) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is 1-(1H-imidazol-5-ylsulfonyl)-4-methylpiperidine.

Molecular Properties

Compound Name1-(1H-imidazol-5-ylsulfonyl)-4-methylpiperidine
PubChem CID6621960
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Name1-(1H-imidazol-5-ylsulfonyl)-4-methylpiperidine
SMILESCC1CCN(S(=O)(=O)c2cnc[nH]2)CC1
InChIInChI=1S/C9H15N3O2S/c1-8-2-4-12(5-3-8)15(13,14)9-6-10-7-11-9/h6-8H,2-5H2,1H3,(H,10,11)
InChIKeyOBDAWSZQROSJMS-UHFFFAOYSA-N
XLogP0.83
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 ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-ylsulfonyl)-4-methylpiperidine?
The IUPAC name of 1-(1H-imidazol-5-ylsulfonyl)-4-methylpiperidine (CID 6621960) is 1-(1H-imidazol-5-ylsulfonyl)-4-methylpiperidine.
What is the SMILES notation for 1-(1H-imidazol-5-ylsulfonyl)-4-methylpiperidine?
The canonical SMILES for 1-(1H-imidazol-5-ylsulfonyl)-4-methylpiperidine is CC1CCN(S(=O)(=O)c2cnc[nH]2)CC1.
What is the InChIKey of 1-(1H-imidazol-5-ylsulfonyl)-4-methylpiperidine?
The InChIKey is OBDAWSZQROSJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-8-2-4-12(5-3-8)15(13,14)9-6-10-7-11-9/h6-8H,2-5H2,1H3,(H,10,11).
What are the key properties of 1-(1H-imidazol-5-ylsulfonyl)-4-methylpiperidine?
1-(1H-imidazol-5-ylsulfonyl)-4-methylpiperidine has a molecular weight of 229.30 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-ylsulfonyl)-4-methylpiperidine is sourced from PubChem (CID 6621960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).