1-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-ethylpiperazine

C17H31N5O2S — CID 50848046

IUPAC1-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-ethylpiperazine
SMILESCCN1CCN(CC2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)CC1
InChIInChI=1S/C17H31N5O2S/c1-4-20-9-11-21(12-10-20)13-16-5-7-22(8-6-16)25(23,24)17-14-19(3)15(2)18-17/h14,16H,4-13H2,1-3H3
InChIKeyIJTMNNUNRIJGQS-UHFFFAOYSA-N
MW369.54 g/mol
LogP0.77
Rot. Bonds5

About 1-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-ethylpiperazine

1-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-ethylpiperazine (PubChem CID 50848046) has the molecular formula C17H31N5O2S and a molecular weight of 369.54 g/mol. Its IUPAC name is 1-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-ethylpiperazine.

Molecular Properties

Compound Name1-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-ethylpiperazine
PubChem CID50848046
Molecular FormulaC17H31N5O2S
Molecular Weight369.54 g/mol
Exact Mass369.22
IUPAC Name1-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-ethylpiperazine
SMILESCCN1CCN(CC2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)CC1
InChIInChI=1S/C17H31N5O2S/c1-4-20-9-11-21(12-10-20)13-16-5-7-22(8-6-16)25(23,24)17-14-19(3)15(2)18-17/h14,16H,4-13H2,1-3H3
InChIKeyIJTMNNUNRIJGQS-UHFFFAOYSA-N
XLogP0.77
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.54
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-ethylpiperazine?
The IUPAC name of 1-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-ethylpiperazine (CID 50848046) is 1-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-ethylpiperazine.
What is the SMILES notation for 1-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-ethylpiperazine?
The canonical SMILES for 1-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-ethylpiperazine is CCN1CCN(CC2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)CC1.
What is the InChIKey of 1-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-ethylpiperazine?
The InChIKey is IJTMNNUNRIJGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5O2S/c1-4-20-9-11-21(12-10-20)13-16-5-7-22(8-6-16)25(23,24)17-14-19(3)15(2)18-17/h14,16H,4-13H2,1-3H3.
What are the key properties of 1-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-ethylpiperazine?
1-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-ethylpiperazine has a molecular weight of 369.54 g/mol, XLogP of 0.77, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-ethylpiperazine is sourced from PubChem (CID 50848046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).