(1R)-1-(1-cyclopropylsulfonylpiperidin-4-yl)-2-(2,5-difluorophenyl)ethanamine

C16H22F2N2O2S — CID 59009391

IUPAC(1R)-1-(1-cyclopropylsulfonylpiperidin-4-yl)-2-(2,5-difluorophenyl)ethanamine
SMILESN[C@H](Cc1cc(F)ccc1F)C1CCN(S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C16H22F2N2O2S/c17-13-1-4-15(18)12(9-13)10-16(19)11-5-7-20(8-6-11)23(21,22)14-2-3-14/h1,4,9,11,14,16H,2-3,5-8,10,19H2/t16-/m1/s1
InChIKeyFQMJNAPFABAMND-MRXNPFEDSA-N
MW344.43 g/mol
LogP2.04
Rot. Bonds5

About (1R)-1-(1-cyclopropylsulfonylpiperidin-4-yl)-2-(2,5-difluorophenyl)ethanamine

(1R)-1-(1-cyclopropylsulfonylpiperidin-4-yl)-2-(2,5-difluorophenyl)ethanamine (PubChem CID 59009391) has the molecular formula C16H22F2N2O2S and a molecular weight of 344.43 g/mol. Its IUPAC name is (1R)-1-(1-cyclopropylsulfonylpiperidin-4-yl)-2-(2,5-difluorophenyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(1-cyclopropylsulfonylpiperidin-4-yl)-2-(2,5-difluorophenyl)ethanamine
PubChem CID59009391
Molecular FormulaC16H22F2N2O2S
Molecular Weight344.43 g/mol
Exact Mass344.14
IUPAC Name(1R)-1-(1-cyclopropylsulfonylpiperidin-4-yl)-2-(2,5-difluorophenyl)ethanamine
SMILESN[C@H](Cc1cc(F)ccc1F)C1CCN(S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C16H22F2N2O2S/c17-13-1-4-15(18)12(9-13)10-16(19)11-5-7-20(8-6-11)23(21,22)14-2-3-14/h1,4,9,11,14,16H,2-3,5-8,10,19H2/t16-/m1/s1
InChIKeyFQMJNAPFABAMND-MRXNPFEDSA-N
XLogP2.04
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(1-cyclopropylsulfonylpiperidin-4-yl)-2-(2,5-difluorophenyl)ethanamine?
The IUPAC name of (1R)-1-(1-cyclopropylsulfonylpiperidin-4-yl)-2-(2,5-difluorophenyl)ethanamine (CID 59009391) is (1R)-1-(1-cyclopropylsulfonylpiperidin-4-yl)-2-(2,5-difluorophenyl)ethanamine.
What is the SMILES notation for (1R)-1-(1-cyclopropylsulfonylpiperidin-4-yl)-2-(2,5-difluorophenyl)ethanamine?
The canonical SMILES for (1R)-1-(1-cyclopropylsulfonylpiperidin-4-yl)-2-(2,5-difluorophenyl)ethanamine is N[C@H](Cc1cc(F)ccc1F)C1CCN(S(=O)(=O)C2CC2)CC1.
What is the InChIKey of (1R)-1-(1-cyclopropylsulfonylpiperidin-4-yl)-2-(2,5-difluorophenyl)ethanamine?
The InChIKey is FQMJNAPFABAMND-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H22F2N2O2S/c17-13-1-4-15(18)12(9-13)10-16(19)11-5-7-20(8-6-11)23(21,22)14-2-3-14/h1,4,9,11,14,16H,2-3,5-8,10,19H2/t16-/m1/s1.
What are the key properties of (1R)-1-(1-cyclopropylsulfonylpiperidin-4-yl)-2-(2,5-difluorophenyl)ethanamine?
(1R)-1-(1-cyclopropylsulfonylpiperidin-4-yl)-2-(2,5-difluorophenyl)ethanamine has a molecular weight of 344.43 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(1-cyclopropylsulfonylpiperidin-4-yl)-2-(2,5-difluorophenyl)ethanamine is sourced from PubChem (CID 59009391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).