1-[2-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]-6-fluorophenyl]ethanone

C16H21FN2O3S — CID 71858333

IUPAC1-[2-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]-6-fluorophenyl]ethanone
SMILESCC(=O)c1c(F)cccc1NC1CCN(S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C16H21FN2O3S/c1-11(20)16-14(17)3-2-4-15(16)18-12-7-9-19(10-8-12)23(21,22)13-5-6-13/h2-4,12-13,18H,5-10H2,1H3
InChIKeyAJGAYUTUGQPJKW-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.40
Rot. Bonds5

About 1-[2-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]-6-fluorophenyl]ethanone

1-[2-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]-6-fluorophenyl]ethanone (PubChem CID 71858333) has the molecular formula C16H21FN2O3S and a molecular weight of 340.42 g/mol. Its IUPAC name is 1-[2-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]-6-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[2-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]-6-fluorophenyl]ethanone
PubChem CID71858333
Molecular FormulaC16H21FN2O3S
Molecular Weight340.42 g/mol
Exact Mass340.13
IUPAC Name1-[2-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]-6-fluorophenyl]ethanone
SMILESCC(=O)c1c(F)cccc1NC1CCN(S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C16H21FN2O3S/c1-11(20)16-14(17)3-2-4-15(16)18-12-7-9-19(10-8-12)23(21,22)13-5-6-13/h2-4,12-13,18H,5-10H2,1H3
InChIKeyAJGAYUTUGQPJKW-UHFFFAOYSA-N
XLogP2.40
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 2819314
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CID 44327918
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CID 44327919
CID 44327919
CID 1298211
CID 1298211
CID 786754
CID 786754
CID 44327920
CID 44327920
CID 44825368
CID 44825368
CID 22424304
CID 22424304
CID 9107521
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CID 9549678
CID 9549678

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]-6-fluorophenyl]ethanone?
The IUPAC name of 1-[2-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]-6-fluorophenyl]ethanone (CID 71858333) is 1-[2-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]-6-fluorophenyl]ethanone.
What is the SMILES notation for 1-[2-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]-6-fluorophenyl]ethanone?
The canonical SMILES for 1-[2-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]-6-fluorophenyl]ethanone is CC(=O)c1c(F)cccc1NC1CCN(S(=O)(=O)C2CC2)CC1.
What is the InChIKey of 1-[2-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]-6-fluorophenyl]ethanone?
The InChIKey is AJGAYUTUGQPJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O3S/c1-11(20)16-14(17)3-2-4-15(16)18-12-7-9-19(10-8-12)23(21,22)13-5-6-13/h2-4,12-13,18H,5-10H2,1H3.
What are the key properties of 1-[2-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]-6-fluorophenyl]ethanone?
1-[2-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]-6-fluorophenyl]ethanone has a molecular weight of 340.42 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]-6-fluorophenyl]ethanone is sourced from PubChem (CID 71858333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).