(E)-3-fluoro-2-[[5-(3-methoxypyrrolidin-1-yl)sulfonyl-2-pyridinyl]oxymethyl]prop-2-en-1-amine

C14H20FN3O4S — CID 153048543

IUPAC(E)-3-fluoro-2-[[5-(3-methoxypyrrolidin-1-yl)sulfonyl-2-pyridinyl]oxymethyl]prop-2-en-1-amine
SMILESCOC1CCN(S(=O)(=O)c2ccc(OC/C(=C/F)CN)nc2)C1
InChIInChI=1S/C14H20FN3O4S/c1-21-12-4-5-18(9-12)23(19,20)13-2-3-14(17-8-13)22-10-11(6-15)7-16/h2-3,6,8,12H,4-5,7,9-10,16H2,1H3/b11-6+
InChIKeyVHCHHKXEAXLLHU-IZZDOVSWSA-N
MW345.40 g/mol
LogP0.68
Rot. Bonds7

About (E)-3-fluoro-2-[[5-(3-methoxypyrrolidin-1-yl)sulfonyl-2-pyridinyl]oxymethyl]prop-2-en-1-amine

(E)-3-fluoro-2-[[5-(3-methoxypyrrolidin-1-yl)sulfonyl-2-pyridinyl]oxymethyl]prop-2-en-1-amine (PubChem CID 153048543) has the molecular formula C14H20FN3O4S and a molecular weight of 345.40 g/mol. Its IUPAC name is (E)-3-fluoro-2-[[5-(3-methoxypyrrolidin-1-yl)sulfonyl-2-pyridinyl]oxymethyl]prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-fluoro-2-[[5-(3-methoxypyrrolidin-1-yl)sulfonyl-2-pyridinyl]oxymethyl]prop-2-en-1-amine
PubChem CID153048543
Molecular FormulaC14H20FN3O4S
Molecular Weight345.40 g/mol
Exact Mass345.12
IUPAC Name(E)-3-fluoro-2-[[5-(3-methoxypyrrolidin-1-yl)sulfonyl-2-pyridinyl]oxymethyl]prop-2-en-1-amine
SMILESCOC1CCN(S(=O)(=O)c2ccc(OC/C(=C/F)CN)nc2)C1
InChIInChI=1S/C14H20FN3O4S/c1-21-12-4-5-18(9-12)23(19,20)13-2-3-14(17-8-13)22-10-11(6-15)7-16/h2-3,6,8,12H,4-5,7,9-10,16H2,1H3/b11-6+
InChIKeyVHCHHKXEAXLLHU-IZZDOVSWSA-N
XLogP0.68
TPSA94.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (E)-3-fluoro-2-[[5-(3-methoxypyrrolidin-1-yl)sulfonyl-2-pyridinyl]oxymethyl]prop-2-en-1-amine with MolForge

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Related Compounds

4-ethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 676047
4-Ethoxy-N-pyridin-3-ylmethyl-benzenesulfonamide
CID 741474
N,N-diethyl-6-methoxy-3-pyridinesulfonamide
CID 829840
6-isopropoxy-N,N-diisopropyl-3-pyridinesulfonamide
CID 829835
N,N-diethyl-6-isopropoxy-3-pyridinesulfonamide
CID 829842
(6R)-4-(4-methoxyphenyl)sulfonyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,4-oxazepane
CID 75367642
3-ethoxy-4-fluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 2236975
2-(Pyrrolidin-3-yloxy)pyridine
CID 18337160
6-(Propan-2-yloxy)pyridine-3-sulfonyl chloride
CID 55279353
2-Ethoxypyridine-3-sulfonamide
CID 71116547
1-(Tert-butylamino)-3-[(3-methylsulfonyl-2-pyridinyl)oxy]propan-2-ol
CID 12566195
N-[(2-ethoxy-3-pyridinyl)methyl]morpholine-4-sulfonamide
CID 45811144

Frequently Asked Questions

What is the IUPAC name of (E)-3-fluoro-2-[[5-(3-methoxypyrrolidin-1-yl)sulfonyl-2-pyridinyl]oxymethyl]prop-2-en-1-amine?
The IUPAC name of (E)-3-fluoro-2-[[5-(3-methoxypyrrolidin-1-yl)sulfonyl-2-pyridinyl]oxymethyl]prop-2-en-1-amine (CID 153048543) is (E)-3-fluoro-2-[[5-(3-methoxypyrrolidin-1-yl)sulfonyl-2-pyridinyl]oxymethyl]prop-2-en-1-amine.
What is the SMILES notation for (E)-3-fluoro-2-[[5-(3-methoxypyrrolidin-1-yl)sulfonyl-2-pyridinyl]oxymethyl]prop-2-en-1-amine?
The canonical SMILES for (E)-3-fluoro-2-[[5-(3-methoxypyrrolidin-1-yl)sulfonyl-2-pyridinyl]oxymethyl]prop-2-en-1-amine is COC1CCN(S(=O)(=O)c2ccc(OC/C(=C/F)CN)nc2)C1.
What is the InChIKey of (E)-3-fluoro-2-[[5-(3-methoxypyrrolidin-1-yl)sulfonyl-2-pyridinyl]oxymethyl]prop-2-en-1-amine?
The InChIKey is VHCHHKXEAXLLHU-IZZDOVSWSA-N. The full InChI is InChI=1S/C14H20FN3O4S/c1-21-12-4-5-18(9-12)23(19,20)13-2-3-14(17-8-13)22-10-11(6-15)7-16/h2-3,6,8,12H,4-5,7,9-10,16H2,1H3/b11-6+.
What are the key properties of (E)-3-fluoro-2-[[5-(3-methoxypyrrolidin-1-yl)sulfonyl-2-pyridinyl]oxymethyl]prop-2-en-1-amine?
(E)-3-fluoro-2-[[5-(3-methoxypyrrolidin-1-yl)sulfonyl-2-pyridinyl]oxymethyl]prop-2-en-1-amine has a molecular weight of 345.40 g/mol, XLogP of 0.68, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-fluoro-2-[[5-(3-methoxypyrrolidin-1-yl)sulfonyl-2-pyridinyl]oxymethyl]prop-2-en-1-amine is sourced from PubChem (CID 153048543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).