[(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

C19H25FN4O5S — CID 162486702

IUPAC[(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
SMILESNC/C(=C\F)COc1ccc(S(=O)(=O)N2C[C@H]3C[C@@]3(C(=O)N3CCOCC3)C2)cn1
InChIInChI=1S/C19H25FN4O5S/c20-8-14(9-21)12-29-17-2-1-16(10-22-17)30(26,27)24-11-15-7-19(15,13-24)18(25)23-3-5-28-6-4-23/h1-2,8,10,15H,3-7,9,11-13,21H2/b14-8+/t15-,19-/m1/s1
InChIKeyJYFIGLFCWJMILK-SBKUDBPSSA-N
MW440.50 g/mol
LogP0.14
Rot. Bonds7

About [(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

[(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 (PubChem CID 162486702) has the molecular formula C19H25FN4O5S and a molecular weight of 440.50 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID162486702
Molecular FormulaC19H25FN4O5S
Molecular Weight440.50 g/mol
Exact Mass440.15
IUPAC Name[(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
SMILESNC/C(=C\F)COc1ccc(S(=O)(=O)N2C[C@H]3C[C@@]3(C(=O)N3CCOCC3)C2)cn1
InChIInChI=1S/C19H25FN4O5S/c20-8-14(9-21)12-29-17-2-1-16(10-22-17)30(26,27)24-11-15-7-19(15,13-24)18(25)23-3-5-28-6-4-23/h1-2,8,10,15H,3-7,9,11-13,21H2/b14-8+/t15-,19-/m1/s1
InChIKeyJYFIGLFCWJMILK-SBKUDBPSSA-N
XLogP0.14
TPSA115.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(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 with MolForge

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Related Compounds

[1-[[6-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]-(azetidin-1-yl)methanone
CID 162482233
(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]-4-methyl-N-(oxan-4-yl)piperidine-4-carboxamide
CID 149335348
(Z)-2-[[5-(2-azaspiro[3.3]heptan-2-ylsulfonyl)-2-pyridinyl]oxymethyl]-3-fluoroprop-2-en-1-amine
CID 175747098
2-[1-[[6-[2-(aminomethyl)-3-fluoroprop-2-enoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]acetic acid
CID 156769145
1-[[6-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-3-pyridinyl]sulfonyl]-N-methylpiperidine-4-carboxamide
CID 153082382
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
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-[[6-[(2Z)-2-(fluoromethylidene)butoxy]-3-pyridinyl]sulfonyl]-N,N-dimethylpiperidine-4-carboxamide
CID 163448208
N-cyclopropyl-1-[[6-[(E)-3-fluoro-2-(methylaminomethyl)prop-2-enoxy]-3-pyridinyl]sulfonyl]piperidine-4-carboxamide
CID 174190446
(3aS,6aR)-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]sulfonyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122070674

Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is NC/C(=C\F)COc1ccc(S(=O)(=O)N2C[C@H]3C[C@@]3(C(=O)N3CCOCC3)C2)cn1.
What is the InChIKey of [(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?
The InChIKey is JYFIGLFCWJMILK-SBKUDBPSSA-N. The full InChI is InChI=1S/C19H25FN4O5S/c20-8-14(9-21)12-29-17-2-1-16(10-22-17)30(26,27)24-11-15-7-19(15,13-24)18(25)23-3-5-28-6-4-23/h1-2,8,10,15H,3-7,9,11-13,21H2/b14-8+/t15-,19-/m1/s1.
What are the key properties of [(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?
[(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 has a molecular weight of 440.50 g/mol, XLogP of 0.14, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 is sourced from PubChem (CID 162486702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).