(Z)-3-fluoro-4-[4-(2-piperidin-1-ylethylsulfonyl)phenoxy]but-2-en-1-amine

C17H25FN2O3S — CID 68770912

IUPAC(Z)-3-fluoro-4-[4-(2-piperidin-1-ylethylsulfonyl)phenoxy]but-2-en-1-amine
SMILESNC/C=C(\F)COc1ccc(S(=O)(=O)CCN2CCCCC2)cc1
InChIInChI=1S/C17H25FN2O3S/c18-15(8-9-19)14-23-16-4-6-17(7-5-16)24(21,22)13-12-20-10-2-1-3-11-20/h4-8H,1-3,9-14,19H2/b15-8-
InChIKeyKGYHUSPSQBCTEM-NVNXTCNLSA-N
MW356.46 g/mol
LogP2.14
Rot. Bonds8

About (Z)-3-fluoro-4-[4-(2-piperidin-1-ylethylsulfonyl)phenoxy]but-2-en-1-amine

(Z)-3-fluoro-4-[4-(2-piperidin-1-ylethylsulfonyl)phenoxy]but-2-en-1-amine (PubChem CID 68770912) has the molecular formula C17H25FN2O3S and a molecular weight of 356.46 g/mol. Its IUPAC name is (Z)-3-fluoro-4-[4-(2-piperidin-1-ylethylsulfonyl)phenoxy]but-2-en-1-amine.

Molecular Properties

Compound Name(Z)-3-fluoro-4-[4-(2-piperidin-1-ylethylsulfonyl)phenoxy]but-2-en-1-amine
PubChem CID68770912
Molecular FormulaC17H25FN2O3S
Molecular Weight356.46 g/mol
Exact Mass356.16
IUPAC Name(Z)-3-fluoro-4-[4-(2-piperidin-1-ylethylsulfonyl)phenoxy]but-2-en-1-amine
SMILESNC/C=C(\F)COc1ccc(S(=O)(=O)CCN2CCCCC2)cc1
InChIInChI=1S/C17H25FN2O3S/c18-15(8-9-19)14-23-16-4-6-17(7-5-16)24(21,22)13-12-20-10-2-1-3-11-20/h4-8H,1-3,9-14,19H2/b15-8-
InChIKeyKGYHUSPSQBCTEM-NVNXTCNLSA-N
XLogP2.14
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-fluoro-4-[4-(2-piperidin-1-ylethylsulfonyl)phenoxy]but-2-en-1-amine?
The IUPAC name of (Z)-3-fluoro-4-[4-(2-piperidin-1-ylethylsulfonyl)phenoxy]but-2-en-1-amine (CID 68770912) is (Z)-3-fluoro-4-[4-(2-piperidin-1-ylethylsulfonyl)phenoxy]but-2-en-1-amine.
What is the SMILES notation for (Z)-3-fluoro-4-[4-(2-piperidin-1-ylethylsulfonyl)phenoxy]but-2-en-1-amine?
The canonical SMILES for (Z)-3-fluoro-4-[4-(2-piperidin-1-ylethylsulfonyl)phenoxy]but-2-en-1-amine is NC/C=C(\F)COc1ccc(S(=O)(=O)CCN2CCCCC2)cc1.
What is the InChIKey of (Z)-3-fluoro-4-[4-(2-piperidin-1-ylethylsulfonyl)phenoxy]but-2-en-1-amine?
The InChIKey is KGYHUSPSQBCTEM-NVNXTCNLSA-N. The full InChI is InChI=1S/C17H25FN2O3S/c18-15(8-9-19)14-23-16-4-6-17(7-5-16)24(21,22)13-12-20-10-2-1-3-11-20/h4-8H,1-3,9-14,19H2/b15-8-.
What are the key properties of (Z)-3-fluoro-4-[4-(2-piperidin-1-ylethylsulfonyl)phenoxy]but-2-en-1-amine?
(Z)-3-fluoro-4-[4-(2-piperidin-1-ylethylsulfonyl)phenoxy]but-2-en-1-amine has a molecular weight of 356.46 g/mol, XLogP of 2.14, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-fluoro-4-[4-(2-piperidin-1-ylethylsulfonyl)phenoxy]but-2-en-1-amine is sourced from PubChem (CID 68770912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).