1-[1-[4-(difluoromethoxy)-3-fluorophenyl]sulfonylpiperidin-2-yl]ethanamine

C14H19F3N2O3S — CID 120999576

IUPAC1-[1-[4-(difluoromethoxy)-3-fluorophenyl]sulfonylpiperidin-2-yl]ethanamine
SMILESCC(N)C1CCCCN1S(=O)(=O)c1ccc(OC(F)F)c(F)c1
InChIInChI=1S/C14H19F3N2O3S/c1-9(18)12-4-2-3-7-19(12)23(20,21)10-5-6-13(11(15)8-10)22-14(16)17/h5-6,8-9,12,14H,2-4,7,18H2,1H3
InChIKeyFZLZZYIJFVJSDO-UHFFFAOYSA-N
MW352.38 g/mol
LogP2.32
Rot. Bonds5

About 1-[1-[4-(difluoromethoxy)-3-fluorophenyl]sulfonylpiperidin-2-yl]ethanamine

1-[1-[4-(difluoromethoxy)-3-fluorophenyl]sulfonylpiperidin-2-yl]ethanamine (PubChem CID 120999576) has the molecular formula C14H19F3N2O3S and a molecular weight of 352.38 g/mol. Its IUPAC name is 1-[1-[4-(difluoromethoxy)-3-fluorophenyl]sulfonylpiperidin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[4-(difluoromethoxy)-3-fluorophenyl]sulfonylpiperidin-2-yl]ethanamine
PubChem CID120999576
Molecular FormulaC14H19F3N2O3S
Molecular Weight352.38 g/mol
Exact Mass352.11
IUPAC Name1-[1-[4-(difluoromethoxy)-3-fluorophenyl]sulfonylpiperidin-2-yl]ethanamine
SMILESCC(N)C1CCCCN1S(=O)(=O)c1ccc(OC(F)F)c(F)c1
InChIInChI=1S/C14H19F3N2O3S/c1-9(18)12-4-2-3-7-19(12)23(20,21)10-5-6-13(11(15)8-10)22-14(16)17/h5-6,8-9,12,14H,2-4,7,18H2,1H3
InChIKeyFZLZZYIJFVJSDO-UHFFFAOYSA-N
XLogP2.32
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.38
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(4-bromo-3-fluorophenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 119965451
5-[2-(1-aminoethyl)piperidin-1-yl]sulfonyl-2-fluorobenzonitrile;hydrochloride
CID 119965338
1-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-2-yl]ethanamine
CID 63255080
1-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-2-yl]ethanamine;hydrochloride
CID 119965309
1-[1-(4-bromo-3-methylphenyl)sulfonylpiperidin-2-yl]ethanamine
CID 63254819
3-[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]sulfonylbenzenesulfonamide
CID 125118493
1-[1-(3-fluoro-5-methylphenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 119965497
1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-2-yl]ethanamine
CID 119965358
5-[2-(1-aminoethyl)piperidin-1-yl]sulfonyl-N,N,2-trimethylaniline
CID 119965411
1-[4-(difluoromethoxy)-3-fluorophenyl]sulfonylpiperidin-3-amine
CID 120874368
1-[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 119965265
1-[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 119965267

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(difluoromethoxy)-3-fluorophenyl]sulfonylpiperidin-2-yl]ethanamine?
The IUPAC name of 1-[1-[4-(difluoromethoxy)-3-fluorophenyl]sulfonylpiperidin-2-yl]ethanamine (CID 120999576) is 1-[1-[4-(difluoromethoxy)-3-fluorophenyl]sulfonylpiperidin-2-yl]ethanamine.
What is the SMILES notation for 1-[1-[4-(difluoromethoxy)-3-fluorophenyl]sulfonylpiperidin-2-yl]ethanamine?
The canonical SMILES for 1-[1-[4-(difluoromethoxy)-3-fluorophenyl]sulfonylpiperidin-2-yl]ethanamine is CC(N)C1CCCCN1S(=O)(=O)c1ccc(OC(F)F)c(F)c1.
What is the InChIKey of 1-[1-[4-(difluoromethoxy)-3-fluorophenyl]sulfonylpiperidin-2-yl]ethanamine?
The InChIKey is FZLZZYIJFVJSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O3S/c1-9(18)12-4-2-3-7-19(12)23(20,21)10-5-6-13(11(15)8-10)22-14(16)17/h5-6,8-9,12,14H,2-4,7,18H2,1H3.
What are the key properties of 1-[1-[4-(difluoromethoxy)-3-fluorophenyl]sulfonylpiperidin-2-yl]ethanamine?
1-[1-[4-(difluoromethoxy)-3-fluorophenyl]sulfonylpiperidin-2-yl]ethanamine has a molecular weight of 352.38 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(difluoromethoxy)-3-fluorophenyl]sulfonylpiperidin-2-yl]ethanamine is sourced from PubChem (CID 120999576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).