1-[2-[(1R,2R)-2-(benzenesulfonyl)cyclopropyl]ethyl]piperidine

C16H23NO2S — CID 138979089

IUPAC1-[2-[(1R,2R)-2-(benzenesulfonyl)cyclopropyl]ethyl]piperidine
SMILESO=S(=O)(c1ccccc1)[C@@H]1C[C@H]1CCN1CCCCC1
InChIInChI=1S/C16H23NO2S/c18-20(19,15-7-3-1-4-8-15)16-13-14(16)9-12-17-10-5-2-6-11-17/h1,3-4,7-8,14,16H,2,5-6,9-13H2/t14-,16-/m1/s1
InChIKeyFARVHWUOURRRIQ-GDBMZVCRSA-N
MW293.43 g/mol
LogP2.72
Rot. Bonds5

About 1-[2-[(1R,2R)-2-(benzenesulfonyl)cyclopropyl]ethyl]piperidine

1-[2-[(1R,2R)-2-(benzenesulfonyl)cyclopropyl]ethyl]piperidine (PubChem CID 138979089) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is 1-[2-[(1R,2R)-2-(benzenesulfonyl)cyclopropyl]ethyl]piperidine.

Molecular Properties

Compound Name1-[2-[(1R,2R)-2-(benzenesulfonyl)cyclopropyl]ethyl]piperidine
PubChem CID138979089
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC Name1-[2-[(1R,2R)-2-(benzenesulfonyl)cyclopropyl]ethyl]piperidine
SMILESO=S(=O)(c1ccccc1)[C@@H]1C[C@H]1CCN1CCCCC1
InChIInChI=1S/C16H23NO2S/c18-20(19,15-7-3-1-4-8-15)16-13-14(16)9-12-17-10-5-2-6-11-17/h1,3-4,7-8,14,16H,2,5-6,9-13H2/t14-,16-/m1/s1
InChIKeyFARVHWUOURRRIQ-GDBMZVCRSA-N
XLogP2.72
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1R,2R)-2-(benzenesulfonyl)cyclopropyl]ethyl]piperidine?
The IUPAC name of 1-[2-[(1R,2R)-2-(benzenesulfonyl)cyclopropyl]ethyl]piperidine (CID 138979089) is 1-[2-[(1R,2R)-2-(benzenesulfonyl)cyclopropyl]ethyl]piperidine.
What is the SMILES notation for 1-[2-[(1R,2R)-2-(benzenesulfonyl)cyclopropyl]ethyl]piperidine?
The canonical SMILES for 1-[2-[(1R,2R)-2-(benzenesulfonyl)cyclopropyl]ethyl]piperidine is O=S(=O)(c1ccccc1)[C@@H]1C[C@H]1CCN1CCCCC1.
What is the InChIKey of 1-[2-[(1R,2R)-2-(benzenesulfonyl)cyclopropyl]ethyl]piperidine?
The InChIKey is FARVHWUOURRRIQ-GDBMZVCRSA-N. The full InChI is InChI=1S/C16H23NO2S/c18-20(19,15-7-3-1-4-8-15)16-13-14(16)9-12-17-10-5-2-6-11-17/h1,3-4,7-8,14,16H,2,5-6,9-13H2/t14-,16-/m1/s1.
What are the key properties of 1-[2-[(1R,2R)-2-(benzenesulfonyl)cyclopropyl]ethyl]piperidine?
1-[2-[(1R,2R)-2-(benzenesulfonyl)cyclopropyl]ethyl]piperidine has a molecular weight of 293.43 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1R,2R)-2-(benzenesulfonyl)cyclopropyl]ethyl]piperidine is sourced from PubChem (CID 138979089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).