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

C10H17N3O2S — CID 53007766

IUPAC4-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine
SMILESCC1CCN(S(=O)(=O)c2cn(C)cn2)CC1
InChIInChI=1S/C10H17N3O2S/c1-9-3-5-13(6-4-9)16(14,15)10-7-12(2)8-11-10/h7-9H,3-6H2,1-2H3
InChIKeyGNFQEUMFHIOBPS-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.84
Rot. Bonds2

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

4-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine (PubChem CID 53007766) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 4-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine.

Molecular Properties

Compound Name4-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine
PubChem CID53007766
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name4-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine
SMILESCC1CCN(S(=O)(=O)c2cn(C)cn2)CC1
InChIInChI=1S/C10H17N3O2S/c1-9-3-5-13(6-4-9)16(14,15)10-7-12(2)8-11-10/h7-9H,3-6H2,1-2H3
InChIKeyGNFQEUMFHIOBPS-UHFFFAOYSA-N
XLogP0.84
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine?
The IUPAC name of 4-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine (CID 53007766) is 4-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine.
What is the SMILES notation for 4-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine?
The canonical SMILES for 4-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine is CC1CCN(S(=O)(=O)c2cn(C)cn2)CC1.
What is the InChIKey of 4-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine?
The InChIKey is GNFQEUMFHIOBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-9-3-5-13(6-4-9)16(14,15)10-7-12(2)8-11-10/h7-9H,3-6H2,1-2H3.
What are the key properties of 4-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine?
4-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine has a molecular weight of 243.33 g/mol, XLogP of 0.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine is sourced from PubChem (CID 53007766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).