(Z)-3-fluoro-4-[(6-methyl-2-pyridinyl)sulfonyl]but-2-en-1-amine

C10H13FN2O2S — CID 146317756

IUPAC(Z)-3-fluoro-4-[(6-methyl-2-pyridinyl)sulfonyl]but-2-en-1-amine
SMILESCc1cccc(S(=O)(=O)C/C(F)=C/CN)n1
InChIInChI=1S/C10H13FN2O2S/c1-8-3-2-4-10(13-8)16(14,15)7-9(11)5-6-12/h2-5H,6-7,12H2,1H3/b9-5-
InChIKeyJBCPWHWJJPZLLR-UITAMQMPSA-N
MW244.29 g/mol
LogP0.98
Rot. Bonds4

About (Z)-3-fluoro-4-[(6-methyl-2-pyridinyl)sulfonyl]but-2-en-1-amine

(Z)-3-fluoro-4-[(6-methyl-2-pyridinyl)sulfonyl]but-2-en-1-amine (PubChem CID 146317756) has the molecular formula C10H13FN2O2S and a molecular weight of 244.29 g/mol. Its IUPAC name is (Z)-3-fluoro-4-[(6-methyl-2-pyridinyl)sulfonyl]but-2-en-1-amine.

Molecular Properties

Compound Name(Z)-3-fluoro-4-[(6-methyl-2-pyridinyl)sulfonyl]but-2-en-1-amine
PubChem CID146317756
Molecular FormulaC10H13FN2O2S
Molecular Weight244.29 g/mol
Exact Mass244.07
IUPAC Name(Z)-3-fluoro-4-[(6-methyl-2-pyridinyl)sulfonyl]but-2-en-1-amine
SMILESCc1cccc(S(=O)(=O)C/C(F)=C/CN)n1
InChIInChI=1S/C10H13FN2O2S/c1-8-3-2-4-10(13-8)16(14,15)7-9(11)5-6-12/h2-5H,6-7,12H2,1H3/b9-5-
InChIKeyJBCPWHWJJPZLLR-UITAMQMPSA-N
XLogP0.98
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.98
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-[(6-methyl-2-pyridinyl)sulfonyl]but-2-en-1-amine?
The IUPAC name of (Z)-3-fluoro-4-[(6-methyl-2-pyridinyl)sulfonyl]but-2-en-1-amine (CID 146317756) is (Z)-3-fluoro-4-[(6-methyl-2-pyridinyl)sulfonyl]but-2-en-1-amine.
What is the SMILES notation for (Z)-3-fluoro-4-[(6-methyl-2-pyridinyl)sulfonyl]but-2-en-1-amine?
The canonical SMILES for (Z)-3-fluoro-4-[(6-methyl-2-pyridinyl)sulfonyl]but-2-en-1-amine is Cc1cccc(S(=O)(=O)C/C(F)=C/CN)n1.
What is the InChIKey of (Z)-3-fluoro-4-[(6-methyl-2-pyridinyl)sulfonyl]but-2-en-1-amine?
The InChIKey is JBCPWHWJJPZLLR-UITAMQMPSA-N. The full InChI is InChI=1S/C10H13FN2O2S/c1-8-3-2-4-10(13-8)16(14,15)7-9(11)5-6-12/h2-5H,6-7,12H2,1H3/b9-5-.
What are the key properties of (Z)-3-fluoro-4-[(6-methyl-2-pyridinyl)sulfonyl]but-2-en-1-amine?
(Z)-3-fluoro-4-[(6-methyl-2-pyridinyl)sulfonyl]but-2-en-1-amine has a molecular weight of 244.29 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-fluoro-4-[(6-methyl-2-pyridinyl)sulfonyl]but-2-en-1-amine is sourced from PubChem (CID 146317756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).