1-(4-methylpiperidin-1-yl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)ethanone

C15H24N4O3S — CID 20947102

IUPAC1-(4-methylpiperidin-1-yl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)ethanone
SMILESCC1CCN(C(=O)Cn2cnc(S(=O)(=O)N3CCCC3)c2)CC1
InChIInChI=1S/C15H24N4O3S/c1-13-4-8-18(9-5-13)15(20)11-17-10-14(16-12-17)23(21,22)19-6-2-3-7-19/h10,12-13H,2-9,11H2,1H3
InChIKeyKDXJHYDLGGNVMM-UHFFFAOYSA-N
MW340.45 g/mol
LogP0.93
Rot. Bonds4

About 1-(4-methylpiperidin-1-yl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)ethanone

1-(4-methylpiperidin-1-yl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)ethanone (PubChem CID 20947102) has the molecular formula C15H24N4O3S and a molecular weight of 340.45 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)ethanone
PubChem CID20947102
Molecular FormulaC15H24N4O3S
Molecular Weight340.45 g/mol
Exact Mass340.16
IUPAC Name1-(4-methylpiperidin-1-yl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)ethanone
SMILESCC1CCN(C(=O)Cn2cnc(S(=O)(=O)N3CCCC3)c2)CC1
InChIInChI=1S/C15H24N4O3S/c1-13-4-8-18(9-5-13)15(20)11-17-10-14(16-12-17)23(21,22)19-6-2-3-7-19/h10,12-13H,2-9,11H2,1H3
InChIKeyKDXJHYDLGGNVMM-UHFFFAOYSA-N
XLogP0.93
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)ethanone?
The IUPAC name of 1-(4-methylpiperidin-1-yl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)ethanone (CID 20947102) is 1-(4-methylpiperidin-1-yl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)ethanone.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)ethanone?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)ethanone is CC1CCN(C(=O)Cn2cnc(S(=O)(=O)N3CCCC3)c2)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)ethanone?
The InChIKey is KDXJHYDLGGNVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3S/c1-13-4-8-18(9-5-13)15(20)11-17-10-14(16-12-17)23(21,22)19-6-2-3-7-19/h10,12-13H,2-9,11H2,1H3.
What are the key properties of 1-(4-methylpiperidin-1-yl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)ethanone?
1-(4-methylpiperidin-1-yl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)ethanone has a molecular weight of 340.45 g/mol, XLogP of 0.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)ethanone is sourced from PubChem (CID 20947102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).