1-(1H-imidazol-5-ylsulfonyl)-2-methylpiperidine

C9H15N3O2S — CID 6619456

IUPAC1-(1H-imidazol-5-ylsulfonyl)-2-methylpiperidine
SMILESCC1CCCCN1S(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C9H15N3O2S/c1-8-4-2-3-5-12(8)15(13,14)9-6-10-7-11-9/h6-8H,2-5H2,1H3,(H,10,11)
InChIKeyZOLMXIHSABCRFZ-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.97
Rot. Bonds2

About 1-(1H-imidazol-5-ylsulfonyl)-2-methylpiperidine

1-(1H-imidazol-5-ylsulfonyl)-2-methylpiperidine (PubChem CID 6619456) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is 1-(1H-imidazol-5-ylsulfonyl)-2-methylpiperidine.

Molecular Properties

Compound Name1-(1H-imidazol-5-ylsulfonyl)-2-methylpiperidine
PubChem CID6619456
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Name1-(1H-imidazol-5-ylsulfonyl)-2-methylpiperidine
SMILESCC1CCCCN1S(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C9H15N3O2S/c1-8-4-2-3-5-12(8)15(13,14)9-6-10-7-11-9/h6-8H,2-5H2,1H3,(H,10,11)
InChIKeyZOLMXIHSABCRFZ-UHFFFAOYSA-N
XLogP0.97
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 ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(1H-imidazol-5-ylsulfonyl)piperidine-2-carboxylic acid
CID 79034784
1-[1-(1H-imidazol-5-ylsulfonyl)piperidin-2-yl]ethanamine;hydrochloride
CID 119965400
(2R)-1-(1H-imidazol-5-ylsulfonyl)-2-methylpiperazine
CID 82755279
N'-hydroxy-1-(1H-imidazol-5-ylsulfonyl)pyrrolidine-2-carboximidamide
CID 77036319
5-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl-1H-imidazole
CID 51611902
2-methyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine
CID 60928789
[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 20856427
1-(1H-imidazol-5-ylsulfonyl)-N-(2-methylcyclohexyl)piperidine-3-carboxamide
CID 20862166
3-bromo-1-(1H-imidazol-5-ylsulfonyl)piperidine
CID 80676122
3-ethyl-1-(1H-imidazol-5-ylsulfonyl)piperidin-4-amine
CID 81457675
(2S)-2-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine
CID 1168281
1-(5-bromo-1-methylpyrazol-4-yl)sulfonyl-2-methylpiperidine
CID 126823017

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-ylsulfonyl)-2-methylpiperidine?
The IUPAC name of 1-(1H-imidazol-5-ylsulfonyl)-2-methylpiperidine (CID 6619456) is 1-(1H-imidazol-5-ylsulfonyl)-2-methylpiperidine.
What is the SMILES notation for 1-(1H-imidazol-5-ylsulfonyl)-2-methylpiperidine?
The canonical SMILES for 1-(1H-imidazol-5-ylsulfonyl)-2-methylpiperidine is CC1CCCCN1S(=O)(=O)c1cnc[nH]1.
What is the InChIKey of 1-(1H-imidazol-5-ylsulfonyl)-2-methylpiperidine?
The InChIKey is ZOLMXIHSABCRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-8-4-2-3-5-12(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)-2-methylpiperidine?
1-(1H-imidazol-5-ylsulfonyl)-2-methylpiperidine has a molecular weight of 229.30 g/mol, XLogP of 0.97, 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)-2-methylpiperidine is sourced from PubChem (CID 6619456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).