(Z)-3-fluoro-4-[(2-propan-2-yl-3-pyridinyl)sulfonyl]but-2-en-1-amine

C12H17FN2O2S — CID 146317730

IUPAC(Z)-3-fluoro-4-[(2-propan-2-yl-3-pyridinyl)sulfonyl]but-2-en-1-amine
SMILESCC(C)c1ncccc1S(=O)(=O)C/C(F)=C/CN
InChIInChI=1S/C12H17FN2O2S/c1-9(2)12-11(4-3-7-15-12)18(16,17)8-10(13)5-6-14/h3-5,7,9H,6,8,14H2,1-2H3/b10-5-
InChIKeyGSEOYCBTMMCEKX-YHYXMXQVSA-N
MW272.35 g/mol
LogP1.79
Rot. Bonds5

About (Z)-3-fluoro-4-[(2-propan-2-yl-3-pyridinyl)sulfonyl]but-2-en-1-amine

(Z)-3-fluoro-4-[(2-propan-2-yl-3-pyridinyl)sulfonyl]but-2-en-1-amine (PubChem CID 146317730) has the molecular formula C12H17FN2O2S and a molecular weight of 272.35 g/mol. Its IUPAC name is (Z)-3-fluoro-4-[(2-propan-2-yl-3-pyridinyl)sulfonyl]but-2-en-1-amine.

Molecular Properties

Compound Name(Z)-3-fluoro-4-[(2-propan-2-yl-3-pyridinyl)sulfonyl]but-2-en-1-amine
PubChem CID146317730
Molecular FormulaC12H17FN2O2S
Molecular Weight272.35 g/mol
Exact Mass272.10
IUPAC Name(Z)-3-fluoro-4-[(2-propan-2-yl-3-pyridinyl)sulfonyl]but-2-en-1-amine
SMILESCC(C)c1ncccc1S(=O)(=O)C/C(F)=C/CN
InChIInChI=1S/C12H17FN2O2S/c1-9(2)12-11(4-3-7-15-12)18(16,17)8-10(13)5-6-14/h3-5,7,9H,6,8,14H2,1-2H3/b10-5-
InChIKeyGSEOYCBTMMCEKX-YHYXMXQVSA-N
XLogP1.79
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-fluoro-4-[(2-propan-2-yl-3-pyridinyl)sulfonyl]but-2-en-1-amine?
The IUPAC name of (Z)-3-fluoro-4-[(2-propan-2-yl-3-pyridinyl)sulfonyl]but-2-en-1-amine (CID 146317730) is (Z)-3-fluoro-4-[(2-propan-2-yl-3-pyridinyl)sulfonyl]but-2-en-1-amine.
What is the SMILES notation for (Z)-3-fluoro-4-[(2-propan-2-yl-3-pyridinyl)sulfonyl]but-2-en-1-amine?
The canonical SMILES for (Z)-3-fluoro-4-[(2-propan-2-yl-3-pyridinyl)sulfonyl]but-2-en-1-amine is CC(C)c1ncccc1S(=O)(=O)C/C(F)=C/CN.
What is the InChIKey of (Z)-3-fluoro-4-[(2-propan-2-yl-3-pyridinyl)sulfonyl]but-2-en-1-amine?
The InChIKey is GSEOYCBTMMCEKX-YHYXMXQVSA-N. The full InChI is InChI=1S/C12H17FN2O2S/c1-9(2)12-11(4-3-7-15-12)18(16,17)8-10(13)5-6-14/h3-5,7,9H,6,8,14H2,1-2H3/b10-5-.
What are the key properties of (Z)-3-fluoro-4-[(2-propan-2-yl-3-pyridinyl)sulfonyl]but-2-en-1-amine?
(Z)-3-fluoro-4-[(2-propan-2-yl-3-pyridinyl)sulfonyl]but-2-en-1-amine has a molecular weight of 272.35 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-fluoro-4-[(2-propan-2-yl-3-pyridinyl)sulfonyl]but-2-en-1-amine is sourced from PubChem (CID 146317730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).