1-[[6-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-3-pyridinyl]sulfonyl]-N,N-dimethylazetidine-3-carboxamide

C15H21FN4O4S — CID 153148547

IUPAC1-[[6-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-3-pyridinyl]sulfonyl]-N,N-dimethylazetidine-3-carboxamide
SMILESCN(C)C(=O)C1CN(S(=O)(=O)c2ccc(OC/C(=C/F)CN)nc2)C1
InChIInChI=1S/C15H21FN4O4S/c1-19(2)15(21)12-8-20(9-12)25(22,23)13-3-4-14(18-7-13)24-10-11(5-16)6-17/h3-5,7,12H,6,8-10,17H2,1-2H3/b11-5+
InChIKeyWAAFCZLATMMQAN-VZUCSPMQSA-N
MW372.42 g/mol
LogP-0.02
Rot. Bonds7

About 1-[[6-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-3-pyridinyl]sulfonyl]-N,N-dimethylazetidine-3-carboxamide

1-[[6-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-3-pyridinyl]sulfonyl]-N,N-dimethylazetidine-3-carboxamide (PubChem CID 153148547) has the molecular formula C15H21FN4O4S and a molecular weight of 372.42 g/mol. Its IUPAC name is 1-[[6-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-3-pyridinyl]sulfonyl]-N,N-dimethylazetidine-3-carboxamide.

Molecular Properties

Compound Name1-[[6-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-3-pyridinyl]sulfonyl]-N,N-dimethylazetidine-3-carboxamide
PubChem CID153148547
Molecular FormulaC15H21FN4O4S
Molecular Weight372.42 g/mol
Exact Mass372.13
IUPAC Name1-[[6-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-3-pyridinyl]sulfonyl]-N,N-dimethylazetidine-3-carboxamide
SMILESCN(C)C(=O)C1CN(S(=O)(=O)c2ccc(OC/C(=C/F)CN)nc2)C1
InChIInChI=1S/C15H21FN4O4S/c1-19(2)15(21)12-8-20(9-12)25(22,23)13-3-4-14(18-7-13)24-10-11(5-16)6-17/h3-5,7,12H,6,8-10,17H2,1-2H3/b11-5+
InChIKeyWAAFCZLATMMQAN-VZUCSPMQSA-N
XLogP-0.02
TPSA105.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[[6-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-3-pyridinyl]sulfonyl]-N,N-dimethylazetidine-3-carboxamide with MolForge

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Related Compounds

N,N-diethyl-6-isopropoxy-3-pyridinesulfonamide
CID 829842
US12178809, Example 45
CID 147057160
US12178809, Example 27
CID 147292328
(3S)-1-[[6-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-3-pyridinyl]sulfonyl]pyrrolidin-3-ol
CID 149125751
US12178809, Example 40
CID 153048543
US12178809, Example 44
CID 153082382
US12178809, Example 16
CID 153573737
US12178809, Example 05
CID 153573746
US12178809, Example 22
CID 153573750
US12178809, Example 53
CID 153573751
US12178809, Example 02
CID 153573753
US12178809, Example 26
CID 153573766

Frequently Asked Questions

What is the IUPAC name of 1-[[6-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-3-pyridinyl]sulfonyl]-N,N-dimethylazetidine-3-carboxamide?
The IUPAC name of 1-[[6-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-3-pyridinyl]sulfonyl]-N,N-dimethylazetidine-3-carboxamide (CID 153148547) is 1-[[6-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-3-pyridinyl]sulfonyl]-N,N-dimethylazetidine-3-carboxamide.
What is the SMILES notation for 1-[[6-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-3-pyridinyl]sulfonyl]-N,N-dimethylazetidine-3-carboxamide?
The canonical SMILES for 1-[[6-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-3-pyridinyl]sulfonyl]-N,N-dimethylazetidine-3-carboxamide is CN(C)C(=O)C1CN(S(=O)(=O)c2ccc(OC/C(=C/F)CN)nc2)C1.
What is the InChIKey of 1-[[6-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-3-pyridinyl]sulfonyl]-N,N-dimethylazetidine-3-carboxamide?
The InChIKey is WAAFCZLATMMQAN-VZUCSPMQSA-N. The full InChI is InChI=1S/C15H21FN4O4S/c1-19(2)15(21)12-8-20(9-12)25(22,23)13-3-4-14(18-7-13)24-10-11(5-16)6-17/h3-5,7,12H,6,8-10,17H2,1-2H3/b11-5+.
What are the key properties of 1-[[6-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-3-pyridinyl]sulfonyl]-N,N-dimethylazetidine-3-carboxamide?
1-[[6-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-3-pyridinyl]sulfonyl]-N,N-dimethylazetidine-3-carboxamide has a molecular weight of 372.42 g/mol, XLogP of -0.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-3-pyridinyl]sulfonyl]-N,N-dimethylazetidine-3-carboxamide is sourced from PubChem (CID 153148547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).