1-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethylsulfonyl]piperidine

C11H21FN2O2S — CID 90887920

IUPAC1-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethylsulfonyl]piperidine
SMILESO=S(=O)(CCN1CC[C@H](F)C1)N1CCCCC1
InChIInChI=1S/C11H21FN2O2S/c12-11-4-7-13(10-11)8-9-17(15,16)14-5-2-1-3-6-14/h11H,1-10H2/t11-/m0/s1
InChIKeyWQUGJCOQAXEMEP-NSHDSACASA-N
MW264.37 g/mol
LogP0.85
Rot. Bonds4

About 1-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethylsulfonyl]piperidine

1-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethylsulfonyl]piperidine (PubChem CID 90887920) has the molecular formula C11H21FN2O2S and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethylsulfonyl]piperidine.

Molecular Properties

Compound Name1-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethylsulfonyl]piperidine
PubChem CID90887920
Molecular FormulaC11H21FN2O2S
Molecular Weight264.37 g/mol
Exact Mass264.13
IUPAC Name1-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethylsulfonyl]piperidine
SMILESO=S(=O)(CCN1CC[C@H](F)C1)N1CCCCC1
InChIInChI=1S/C11H21FN2O2S/c12-11-4-7-13(10-11)8-9-17(15,16)14-5-2-1-3-6-14/h11H,1-10H2/t11-/m0/s1
InChIKeyWQUGJCOQAXEMEP-NSHDSACASA-N
XLogP0.85
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethylsulfonyl]piperidine?
The IUPAC name of 1-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethylsulfonyl]piperidine (CID 90887920) is 1-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethylsulfonyl]piperidine.
What is the SMILES notation for 1-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethylsulfonyl]piperidine?
The canonical SMILES for 1-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethylsulfonyl]piperidine is O=S(=O)(CCN1CC[C@H](F)C1)N1CCCCC1.
What is the InChIKey of 1-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethylsulfonyl]piperidine?
The InChIKey is WQUGJCOQAXEMEP-NSHDSACASA-N. The full InChI is InChI=1S/C11H21FN2O2S/c12-11-4-7-13(10-11)8-9-17(15,16)14-5-2-1-3-6-14/h11H,1-10H2/t11-/m0/s1.
What are the key properties of 1-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethylsulfonyl]piperidine?
1-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethylsulfonyl]piperidine has a molecular weight of 264.37 g/mol, XLogP of 0.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethylsulfonyl]piperidine is sourced from PubChem (CID 90887920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).