[4-[2-[bis(4-fluorophenyl)methylsulfinyl]ethylamino]piperidin-1-yl]-phenylmethanone

C27H28F2N2O2S — CID 142590712

IUPAC[4-[2-[bis(4-fluorophenyl)methylsulfinyl]ethylamino]piperidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC(NCCS(=O)C(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C27H28F2N2O2S/c28-23-10-6-20(7-11-23)26(21-8-12-24(29)13-9-21)34(33)19-16-30-25-14-17-31(18-15-25)27(32)22-4-2-1-3-5-22/h1-13,25-26,30H,14-19H2
InChIKeyCEHLZWQQNGVVIG-UHFFFAOYSA-N
MW482.60 g/mol
LogP4.70
Rot. Bonds8

About [4-[2-[bis(4-fluorophenyl)methylsulfinyl]ethylamino]piperidin-1-yl]-phenylmethanone

[4-[2-[bis(4-fluorophenyl)methylsulfinyl]ethylamino]piperidin-1-yl]-phenylmethanone (PubChem CID 142590712) has the molecular formula C27H28F2N2O2S and a molecular weight of 482.60 g/mol. Its IUPAC name is [4-[2-[bis(4-fluorophenyl)methylsulfinyl]ethylamino]piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[2-[bis(4-fluorophenyl)methylsulfinyl]ethylamino]piperidin-1-yl]-phenylmethanone
PubChem CID142590712
Molecular FormulaC27H28F2N2O2S
Molecular Weight482.60 g/mol
Exact Mass482.18
IUPAC Name[4-[2-[bis(4-fluorophenyl)methylsulfinyl]ethylamino]piperidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC(NCCS(=O)C(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C27H28F2N2O2S/c28-23-10-6-20(7-11-23)26(21-8-12-24(29)13-9-21)34(33)19-16-30-25-14-17-31(18-15-25)27(32)22-4-2-1-3-5-22/h1-13,25-26,30H,14-19H2
InChIKeyCEHLZWQQNGVVIG-UHFFFAOYSA-N
XLogP4.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.60
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[2-[bis(4-fluorophenyl)methylsulfinyl]ethylamino]piperidin-1-yl]-phenylmethanone?
The IUPAC name of [4-[2-[bis(4-fluorophenyl)methylsulfinyl]ethylamino]piperidin-1-yl]-phenylmethanone (CID 142590712) is [4-[2-[bis(4-fluorophenyl)methylsulfinyl]ethylamino]piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[2-[bis(4-fluorophenyl)methylsulfinyl]ethylamino]piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[2-[bis(4-fluorophenyl)methylsulfinyl]ethylamino]piperidin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCC(NCCS(=O)C(c2ccc(F)cc2)c2ccc(F)cc2)CC1.
What is the InChIKey of [4-[2-[bis(4-fluorophenyl)methylsulfinyl]ethylamino]piperidin-1-yl]-phenylmethanone?
The InChIKey is CEHLZWQQNGVVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F2N2O2S/c28-23-10-6-20(7-11-23)26(21-8-12-24(29)13-9-21)34(33)19-16-30-25-14-17-31(18-15-25)27(32)22-4-2-1-3-5-22/h1-13,25-26,30H,14-19H2.
What are the key properties of [4-[2-[bis(4-fluorophenyl)methylsulfinyl]ethylamino]piperidin-1-yl]-phenylmethanone?
[4-[2-[bis(4-fluorophenyl)methylsulfinyl]ethylamino]piperidin-1-yl]-phenylmethanone has a molecular weight of 482.60 g/mol, XLogP of 4.70, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[bis(4-fluorophenyl)methylsulfinyl]ethylamino]piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 142590712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).