1-(1H-imidazol-5-ylsulfonyl)-3-methylpiperidine

C9H15N3O2S — CID 20856396

IUPAC1-(1H-imidazol-5-ylsulfonyl)-3-methylpiperidine
SMILESCC1CCCN(S(=O)(=O)c2cnc[nH]2)C1
InChIInChI=1S/C9H15N3O2S/c1-8-3-2-4-12(6-8)15(13,14)9-5-10-7-11-9/h5,7-8H,2-4,6H2,1H3,(H,10,11)
InChIKeyCXHGYPKRCNXKTM-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.83
Rot. Bonds2

About 1-(1H-imidazol-5-ylsulfonyl)-3-methylpiperidine

1-(1H-imidazol-5-ylsulfonyl)-3-methylpiperidine (PubChem CID 20856396) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is 1-(1H-imidazol-5-ylsulfonyl)-3-methylpiperidine.

Molecular Properties

Compound Name1-(1H-imidazol-5-ylsulfonyl)-3-methylpiperidine
PubChem CID20856396
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Name1-(1H-imidazol-5-ylsulfonyl)-3-methylpiperidine
SMILESCC1CCCN(S(=O)(=O)c2cnc[nH]2)C1
InChIInChI=1S/C9H15N3O2S/c1-8-3-2-4-12(6-8)15(13,14)9-5-10-7-11-9/h5,7-8H,2-4,6H2,1H3,(H,10,11)
InChIKeyCXHGYPKRCNXKTM-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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Related Compounds

1-(1H-imidazol-5-ylsulfonyl)-4-methylpiperidine
CID 6621960
1-(1H-imidazol-5-ylsulfonyl)-3,5-dimethylpiperidine
CID 20856403
1-(1H-imidazol-4-ylsulfonyl)azepane
CID 3235988
N-butyl-1-(1H-imidazol-4-ylsulfonyl)piperidine-4-carboxamide
CID 3238989
1-(1H-imidazole-4-sulfonyl)piperidine
CID 6619508
N,N-dimethyl-1H-imidazole-4-sulfonamide
CID 54593459
N-methyl-1H-imidazole-4-sulfonamide
CID 54164638
4-[1-(1H-Imidazole-4-sulfonyl)pyrrolidin-3-YL]-N-methylpiperidine-1-carboxamide
CID 91910251
1-ethylsulfonyl-3-(1H-imidazol-2-yl)piperidine
CID 84586576
N-(piperidin-2-ylmethyl)-1-propan-2-ylimidazole-4-sulfonamide
CID 86784600
N-[2-cyclohexyl-2-(dimethylamino)ethyl]-1H-imidazole-5-sulfonamide
CID 121523857
(3S)-1-(3-ethylimidazol-4-yl)sulfonyl-3-methylpiperidine
CID 164631900

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-ylsulfonyl)-3-methylpiperidine?
The IUPAC name of 1-(1H-imidazol-5-ylsulfonyl)-3-methylpiperidine (CID 20856396) is 1-(1H-imidazol-5-ylsulfonyl)-3-methylpiperidine.
What is the SMILES notation for 1-(1H-imidazol-5-ylsulfonyl)-3-methylpiperidine?
The canonical SMILES for 1-(1H-imidazol-5-ylsulfonyl)-3-methylpiperidine is CC1CCCN(S(=O)(=O)c2cnc[nH]2)C1.
What is the InChIKey of 1-(1H-imidazol-5-ylsulfonyl)-3-methylpiperidine?
The InChIKey is CXHGYPKRCNXKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-8-3-2-4-12(6-8)15(13,14)9-5-10-7-11-9/h5,7-8H,2-4,6H2,1H3,(H,10,11).
What are the key properties of 1-(1H-imidazol-5-ylsulfonyl)-3-methylpiperidine?
1-(1H-imidazol-5-ylsulfonyl)-3-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)-3-methylpiperidine is sourced from PubChem (CID 20856396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).