1-[3-(benzenesulfonyl)imidazolidin-1-yl]-2-piperidin-1-ylethanone

C16H23N3O3S — CID 747982

IUPAC1-[3-(benzenesulfonyl)imidazolidin-1-yl]-2-piperidin-1-ylethanone
SMILESO=C(CN1CCCCC1)N1CCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C16H23N3O3S/c20-16(13-17-9-5-2-6-10-17)18-11-12-19(14-18)23(21,22)15-7-3-1-4-8-15/h1,3-4,7-8H,2,5-6,9-14H2
InChIKeyPGUWEBSYSVRODB-UHFFFAOYSA-N
MW337.44 g/mol
LogP0.96
Rot. Bonds4

About 1-[3-(benzenesulfonyl)imidazolidin-1-yl]-2-piperidin-1-ylethanone

1-[3-(benzenesulfonyl)imidazolidin-1-yl]-2-piperidin-1-ylethanone (PubChem CID 747982) has the molecular formula C16H23N3O3S and a molecular weight of 337.44 g/mol. Its IUPAC name is 1-[3-(benzenesulfonyl)imidazolidin-1-yl]-2-piperidin-1-ylethanone.

Molecular Properties

Compound Name1-[3-(benzenesulfonyl)imidazolidin-1-yl]-2-piperidin-1-ylethanone
PubChem CID747982
Molecular FormulaC16H23N3O3S
Molecular Weight337.44 g/mol
Exact Mass337.15
IUPAC Name1-[3-(benzenesulfonyl)imidazolidin-1-yl]-2-piperidin-1-ylethanone
SMILESO=C(CN1CCCCC1)N1CCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C16H23N3O3S/c20-16(13-17-9-5-2-6-10-17)18-11-12-19(14-18)23(21,22)15-7-3-1-4-8-15/h1,3-4,7-8H,2,5-6,9-14H2
InChIKeyPGUWEBSYSVRODB-UHFFFAOYSA-N
XLogP0.96
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(benzenesulfonyl)imidazolidin-1-yl]-2-piperidin-1-ylethanone?
The IUPAC name of 1-[3-(benzenesulfonyl)imidazolidin-1-yl]-2-piperidin-1-ylethanone (CID 747982) is 1-[3-(benzenesulfonyl)imidazolidin-1-yl]-2-piperidin-1-ylethanone.
What is the SMILES notation for 1-[3-(benzenesulfonyl)imidazolidin-1-yl]-2-piperidin-1-ylethanone?
The canonical SMILES for 1-[3-(benzenesulfonyl)imidazolidin-1-yl]-2-piperidin-1-ylethanone is O=C(CN1CCCCC1)N1CCN(S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of 1-[3-(benzenesulfonyl)imidazolidin-1-yl]-2-piperidin-1-ylethanone?
The InChIKey is PGUWEBSYSVRODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c20-16(13-17-9-5-2-6-10-17)18-11-12-19(14-18)23(21,22)15-7-3-1-4-8-15/h1,3-4,7-8H,2,5-6,9-14H2.
What are the key properties of 1-[3-(benzenesulfonyl)imidazolidin-1-yl]-2-piperidin-1-ylethanone?
1-[3-(benzenesulfonyl)imidazolidin-1-yl]-2-piperidin-1-ylethanone has a molecular weight of 337.44 g/mol, XLogP of 0.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(benzenesulfonyl)imidazolidin-1-yl]-2-piperidin-1-ylethanone is sourced from PubChem (CID 747982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).