1-(furan-2-ylsulfonyl)-N-(2,2,2-trifluoroethyl)piperidin-3-amine

C11H15F3N2O3S — CID 136574352

IUPAC1-(furan-2-ylsulfonyl)-N-(2,2,2-trifluoroethyl)piperidin-3-amine
SMILESO=S(=O)(c1ccco1)N1CCCC(NCC(F)(F)F)C1
InChIInChI=1S/C11H15F3N2O3S/c12-11(13,14)8-15-9-3-1-5-16(7-9)20(17,18)10-4-2-6-19-10/h2,4,6,9,15H,1,3,5,7-8H2
InChIKeyTZEQSINLKVXBRL-UHFFFAOYSA-N
MW312.31 g/mol
LogP1.58
Rot. Bonds4

About 1-(furan-2-ylsulfonyl)-N-(2,2,2-trifluoroethyl)piperidin-3-amine

1-(furan-2-ylsulfonyl)-N-(2,2,2-trifluoroethyl)piperidin-3-amine (PubChem CID 136574352) has the molecular formula C11H15F3N2O3S and a molecular weight of 312.31 g/mol. Its IUPAC name is 1-(furan-2-ylsulfonyl)-N-(2,2,2-trifluoroethyl)piperidin-3-amine.

Molecular Properties

Compound Name1-(furan-2-ylsulfonyl)-N-(2,2,2-trifluoroethyl)piperidin-3-amine
PubChem CID136574352
Molecular FormulaC11H15F3N2O3S
Molecular Weight312.31 g/mol
Exact Mass312.08
IUPAC Name1-(furan-2-ylsulfonyl)-N-(2,2,2-trifluoroethyl)piperidin-3-amine
SMILESO=S(=O)(c1ccco1)N1CCCC(NCC(F)(F)F)C1
InChIInChI=1S/C11H15F3N2O3S/c12-11(13,14)8-15-9-3-1-5-16(7-9)20(17,18)10-4-2-6-19-10/h2,4,6,9,15H,1,3,5,7-8H2
InChIKeyTZEQSINLKVXBRL-UHFFFAOYSA-N
XLogP1.58
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.31
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(azetidin-3-yl)furan-2-sulfonamide
CID 121553947
N-cyclohexyl-2-(furan-2-ylsulfonylamino)acetamide
CID 132385541
(2S,6R)-4-(furan-3-ylsulfonyl)-2,6-dimethyl-1-(2,2,2-trifluoroethyl)piperazine
CID 138018317
[(2R)-1-(furan-2-ylsulfonyl)piperidin-2-yl]methanesulfonamide
CID 164636342
1-(Furan-2-sulfonyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine
CID 136534243
N-[2-[2,2-difluoroethyl(methyl)amino]ethyl]-N-methylfuran-2-sulfonamide
CID 99802872
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)furan-2-sulfonamide;hydrochloride
CID 120876971
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)furan-2-sulfonamide
CID 120876972
(2S,4R)-4-fluoro-1-(furan-2-ylsulfonyl)pyrrolidine-2-carboxamide
CID 120916443
N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]furan-2-sulfonamide
CID 121537418
N-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]furan-2-sulfonamide
CID 124626698
N-[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]furan-2-sulfonamide
CID 124626699

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylsulfonyl)-N-(2,2,2-trifluoroethyl)piperidin-3-amine?
The IUPAC name of 1-(furan-2-ylsulfonyl)-N-(2,2,2-trifluoroethyl)piperidin-3-amine (CID 136574352) is 1-(furan-2-ylsulfonyl)-N-(2,2,2-trifluoroethyl)piperidin-3-amine.
What is the SMILES notation for 1-(furan-2-ylsulfonyl)-N-(2,2,2-trifluoroethyl)piperidin-3-amine?
The canonical SMILES for 1-(furan-2-ylsulfonyl)-N-(2,2,2-trifluoroethyl)piperidin-3-amine is O=S(=O)(c1ccco1)N1CCCC(NCC(F)(F)F)C1.
What is the InChIKey of 1-(furan-2-ylsulfonyl)-N-(2,2,2-trifluoroethyl)piperidin-3-amine?
The InChIKey is TZEQSINLKVXBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O3S/c12-11(13,14)8-15-9-3-1-5-16(7-9)20(17,18)10-4-2-6-19-10/h2,4,6,9,15H,1,3,5,7-8H2.
What are the key properties of 1-(furan-2-ylsulfonyl)-N-(2,2,2-trifluoroethyl)piperidin-3-amine?
1-(furan-2-ylsulfonyl)-N-(2,2,2-trifluoroethyl)piperidin-3-amine has a molecular weight of 312.31 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylsulfonyl)-N-(2,2,2-trifluoroethyl)piperidin-3-amine is sourced from PubChem (CID 136574352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).