1-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-piperidin-1-ylethanone

C17H25N3O3S — CID 1035114

IUPAC1-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-piperidin-1-ylethanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCCCC3)C2)cc1
InChIInChI=1S/C17H25N3O3S/c1-15-5-7-16(8-6-15)24(22,23)20-12-11-19(14-20)17(21)13-18-9-3-2-4-10-18/h5-8H,2-4,9-14H2,1H3
InChIKeyREAPZAKDUSEOSX-UHFFFAOYSA-N
MW351.47 g/mol
LogP1.27
Rot. Bonds4

About 1-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-piperidin-1-ylethanone

1-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-piperidin-1-ylethanone (PubChem CID 1035114) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is 1-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-piperidin-1-ylethanone.

Molecular Properties

Compound Name1-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-piperidin-1-ylethanone
PubChem CID1035114
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC Name1-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-piperidin-1-ylethanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCCCC3)C2)cc1
InChIInChI=1S/C17H25N3O3S/c1-15-5-7-16(8-6-15)24(22,23)20-12-11-19(14-20)17(21)13-18-9-3-2-4-10-18/h5-8H,2-4,9-14H2,1H3
InChIKeyREAPZAKDUSEOSX-UHFFFAOYSA-N
XLogP1.27
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-piperidin-1-ylethanone?
The IUPAC name of 1-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-piperidin-1-ylethanone (CID 1035114) is 1-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-piperidin-1-ylethanone.
What is the SMILES notation for 1-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-piperidin-1-ylethanone?
The canonical SMILES for 1-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-piperidin-1-ylethanone is Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCCCC3)C2)cc1.
What is the InChIKey of 1-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-piperidin-1-ylethanone?
The InChIKey is REAPZAKDUSEOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S/c1-15-5-7-16(8-6-15)24(22,23)20-12-11-19(14-20)17(21)13-18-9-3-2-4-10-18/h5-8H,2-4,9-14H2,1H3.
What are the key properties of 1-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-piperidin-1-ylethanone?
1-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-piperidin-1-ylethanone has a molecular weight of 351.47 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-piperidin-1-ylethanone is sourced from PubChem (CID 1035114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).