1-[2-[4-(benzenesulfonyl)piperidin-1-yl]ethyl]imidazolidin-2-one

C16H23N3O3S — CID 11099801

IUPAC1-[2-[4-(benzenesulfonyl)piperidin-1-yl]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCN1CCC(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C16H23N3O3S/c20-16-17-8-11-19(16)13-12-18-9-6-15(7-10-18)23(21,22)14-4-2-1-3-5-14/h1-5,15H,6-13H2,(H,17,20)
InChIKeyCCFCIFUXOWLDJD-UHFFFAOYSA-N
MW337.44 g/mol
LogP0.95
Rot. Bonds5

About 1-[2-[4-(benzenesulfonyl)piperidin-1-yl]ethyl]imidazolidin-2-one

1-[2-[4-(benzenesulfonyl)piperidin-1-yl]ethyl]imidazolidin-2-one (PubChem CID 11099801) has the molecular formula C16H23N3O3S and a molecular weight of 337.44 g/mol. Its IUPAC name is 1-[2-[4-(benzenesulfonyl)piperidin-1-yl]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-(benzenesulfonyl)piperidin-1-yl]ethyl]imidazolidin-2-one
PubChem CID11099801
Molecular FormulaC16H23N3O3S
Molecular Weight337.44 g/mol
Exact Mass337.15
IUPAC Name1-[2-[4-(benzenesulfonyl)piperidin-1-yl]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCN1CCC(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C16H23N3O3S/c20-16-17-8-11-19(16)13-12-18-9-6-15(7-10-18)23(21,22)14-4-2-1-3-5-14/h1-5,15H,6-13H2,(H,17,20)
InChIKeyCCFCIFUXOWLDJD-UHFFFAOYSA-N
XLogP0.95
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(benzenesulfonyl)piperidin-1-yl]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[4-(benzenesulfonyl)piperidin-1-yl]ethyl]imidazolidin-2-one (CID 11099801) is 1-[2-[4-(benzenesulfonyl)piperidin-1-yl]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[4-(benzenesulfonyl)piperidin-1-yl]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[4-(benzenesulfonyl)piperidin-1-yl]ethyl]imidazolidin-2-one is O=C1NCCN1CCN1CCC(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-[2-[4-(benzenesulfonyl)piperidin-1-yl]ethyl]imidazolidin-2-one?
The InChIKey is CCFCIFUXOWLDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c20-16-17-8-11-19(16)13-12-18-9-6-15(7-10-18)23(21,22)14-4-2-1-3-5-14/h1-5,15H,6-13H2,(H,17,20).
What are the key properties of 1-[2-[4-(benzenesulfonyl)piperidin-1-yl]ethyl]imidazolidin-2-one?
1-[2-[4-(benzenesulfonyl)piperidin-1-yl]ethyl]imidazolidin-2-one has a molecular weight of 337.44 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(benzenesulfonyl)piperidin-1-yl]ethyl]imidazolidin-2-one is sourced from PubChem (CID 11099801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).