(Z)-2-[[5-(2-azaspiro[3.3]heptan-2-ylsulfonyl)-2-pyridinyl]oxymethyl]-3-fluoroprop-2-en-1-amine

C15H20FN3O3S — CID 175747098

IUPAC(Z)-2-[[5-(2-azaspiro[3.3]heptan-2-ylsulfonyl)-2-pyridinyl]oxymethyl]-3-fluoroprop-2-en-1-amine
SMILESNC/C(=C/F)COc1ccc(S(=O)(=O)N2CC3(CCC3)C2)cn1
InChIInChI=1S/C15H20FN3O3S/c16-6-12(7-17)9-22-14-3-2-13(8-18-14)23(20,21)19-10-15(11-19)4-1-5-15/h2-3,6,8H,1,4-5,7,9-11,17H2/b12-6-
InChIKeyRGKMLNMPCLOCTP-SDQBBNPISA-N
MW341.41 g/mol
LogP1.45
Rot. Bonds6

About (Z)-2-[[5-(2-azaspiro[3.3]heptan-2-ylsulfonyl)-2-pyridinyl]oxymethyl]-3-fluoroprop-2-en-1-amine

(Z)-2-[[5-(2-azaspiro[3.3]heptan-2-ylsulfonyl)-2-pyridinyl]oxymethyl]-3-fluoroprop-2-en-1-amine (PubChem CID 175747098) has the molecular formula C15H20FN3O3S and a molecular weight of 341.41 g/mol. Its IUPAC name is (Z)-2-[[5-(2-azaspiro[3.3]heptan-2-ylsulfonyl)-2-pyridinyl]oxymethyl]-3-fluoroprop-2-en-1-amine.

Molecular Properties

Compound Name(Z)-2-[[5-(2-azaspiro[3.3]heptan-2-ylsulfonyl)-2-pyridinyl]oxymethyl]-3-fluoroprop-2-en-1-amine
PubChem CID175747098
Molecular FormulaC15H20FN3O3S
Molecular Weight341.41 g/mol
Exact Mass341.12
IUPAC Name(Z)-2-[[5-(2-azaspiro[3.3]heptan-2-ylsulfonyl)-2-pyridinyl]oxymethyl]-3-fluoroprop-2-en-1-amine
SMILESNC/C(=C/F)COc1ccc(S(=O)(=O)N2CC3(CCC3)C2)cn1
InChIInChI=1S/C15H20FN3O3S/c16-6-12(7-17)9-22-14-3-2-13(8-18-14)23(20,21)19-10-15(11-19)4-1-5-15/h2-3,6,8H,1,4-5,7,9-11,17H2/b12-6-
InChIKeyRGKMLNMPCLOCTP-SDQBBNPISA-N
XLogP1.45
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (Z)-2-[[5-(2-azaspiro[3.3]heptan-2-ylsulfonyl)-2-pyridinyl]oxymethyl]-3-fluoroprop-2-en-1-amine with MolForge

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Related Compounds

2-[1-[[6-[2-(aminomethyl)-3-fluoroprop-2-enoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]acetic acid
CID 156769145
(1S,5R)-3-[[6-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-3-pyridinyl]sulfonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 162482212
[1-[[6-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]-(azetidin-1-yl)methanone
CID 162482233
1-[[6-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-3-pyridinyl]sulfonyl]-N-methylpiperidine-4-carboxamide
CID 153082382
[(1S,5S)-3-[[6-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-3-pyridinyl]sulfonyl]-3-azabicyclo[3.1.0]hexan-1-yl]-morpholin-4-ylmethanone
CID 162486702
1-[[6-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-3-pyridinyl]sulfonyl]-4-methyl-N-(oxan-4-yl)piperidine-4-carboxamide
CID 149335348
2-[1-[[6-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]acetic acid;2-[1-[[6-[3-fluoro-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]acetic acid;2,2,2-trifluoroacetic acid
CID 163810309
6-[[6-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-3-pyridinyl]sulfonyl]-2,6-diazabicyclo[3.2.1]octan-3-one;2,2,2-trifluoroacetic acid
CID 175740012
1-[[6-[(2Z)-2-(fluoromethylidene)butoxy]-3-pyridinyl]sulfonyl]-N,N-dimethylpiperidine-4-carboxamide
CID 163448208
methyl (1R,5S)-3-[[6-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-3-pyridinyl]sulfonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate;methyl (1R,5S)-3-[[6-[3-fluoro-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enoxy]-3-pyridinyl]sulfonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate;2,2,2-trifluoroacetic acid
CID 163977693
1-[1-[[6-[(2Z)-2-(fluoromethylidene)butoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]-3-methylimidazolidin-2-one
CID 163448210
N-cyclopropyl-1-[[6-[(E)-3-fluoro-2-(methylaminomethyl)prop-2-enoxy]-3-pyridinyl]sulfonyl]piperidine-4-carboxamide
CID 174190446

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[[5-(2-azaspiro[3.3]heptan-2-ylsulfonyl)-2-pyridinyl]oxymethyl]-3-fluoroprop-2-en-1-amine?
The IUPAC name of (Z)-2-[[5-(2-azaspiro[3.3]heptan-2-ylsulfonyl)-2-pyridinyl]oxymethyl]-3-fluoroprop-2-en-1-amine (CID 175747098) is (Z)-2-[[5-(2-azaspiro[3.3]heptan-2-ylsulfonyl)-2-pyridinyl]oxymethyl]-3-fluoroprop-2-en-1-amine.
What is the SMILES notation for (Z)-2-[[5-(2-azaspiro[3.3]heptan-2-ylsulfonyl)-2-pyridinyl]oxymethyl]-3-fluoroprop-2-en-1-amine?
The canonical SMILES for (Z)-2-[[5-(2-azaspiro[3.3]heptan-2-ylsulfonyl)-2-pyridinyl]oxymethyl]-3-fluoroprop-2-en-1-amine is NC/C(=C/F)COc1ccc(S(=O)(=O)N2CC3(CCC3)C2)cn1.
What is the InChIKey of (Z)-2-[[5-(2-azaspiro[3.3]heptan-2-ylsulfonyl)-2-pyridinyl]oxymethyl]-3-fluoroprop-2-en-1-amine?
The InChIKey is RGKMLNMPCLOCTP-SDQBBNPISA-N. The full InChI is InChI=1S/C15H20FN3O3S/c16-6-12(7-17)9-22-14-3-2-13(8-18-14)23(20,21)19-10-15(11-19)4-1-5-15/h2-3,6,8H,1,4-5,7,9-11,17H2/b12-6-.
What are the key properties of (Z)-2-[[5-(2-azaspiro[3.3]heptan-2-ylsulfonyl)-2-pyridinyl]oxymethyl]-3-fluoroprop-2-en-1-amine?
(Z)-2-[[5-(2-azaspiro[3.3]heptan-2-ylsulfonyl)-2-pyridinyl]oxymethyl]-3-fluoroprop-2-en-1-amine has a molecular weight of 341.41 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[[5-(2-azaspiro[3.3]heptan-2-ylsulfonyl)-2-pyridinyl]oxymethyl]-3-fluoroprop-2-en-1-amine is sourced from PubChem (CID 175747098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).