(Z)-3-fluoro-4-[(5-propan-2-yl-2-pyridinyl)sulfonyl]but-2-en-1-amine

C12H17FN2O2S — CID 146317786

IUPAC(Z)-3-fluoro-4-[(5-propan-2-yl-2-pyridinyl)sulfonyl]but-2-en-1-amine
SMILESCC(C)c1ccc(S(=O)(=O)C/C(F)=C/CN)nc1
InChIInChI=1S/C12H17FN2O2S/c1-9(2)10-3-4-12(15-7-10)18(16,17)8-11(13)5-6-14/h3-5,7,9H,6,8,14H2,1-2H3/b11-5-
InChIKeyGFAXRIQLKFNHIT-WZUFQYTHSA-N
MW272.35 g/mol
LogP1.79
Rot. Bonds5

About (Z)-3-fluoro-4-[(5-propan-2-yl-2-pyridinyl)sulfonyl]but-2-en-1-amine

(Z)-3-fluoro-4-[(5-propan-2-yl-2-pyridinyl)sulfonyl]but-2-en-1-amine (PubChem CID 146317786) has the molecular formula C12H17FN2O2S and a molecular weight of 272.35 g/mol. Its IUPAC name is (Z)-3-fluoro-4-[(5-propan-2-yl-2-pyridinyl)sulfonyl]but-2-en-1-amine.

Molecular Properties

Compound Name(Z)-3-fluoro-4-[(5-propan-2-yl-2-pyridinyl)sulfonyl]but-2-en-1-amine
PubChem CID146317786
Molecular FormulaC12H17FN2O2S
Molecular Weight272.35 g/mol
Exact Mass272.10
IUPAC Name(Z)-3-fluoro-4-[(5-propan-2-yl-2-pyridinyl)sulfonyl]but-2-en-1-amine
SMILESCC(C)c1ccc(S(=O)(=O)C/C(F)=C/CN)nc1
InChIInChI=1S/C12H17FN2O2S/c1-9(2)10-3-4-12(15-7-10)18(16,17)8-11(13)5-6-14/h3-5,7,9H,6,8,14H2,1-2H3/b11-5-
InChIKeyGFAXRIQLKFNHIT-WZUFQYTHSA-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

Analyze (Z)-3-fluoro-4-[(5-propan-2-yl-2-pyridinyl)sulfonyl]but-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pyridine, 4-[2-[(4-methylphenyl)sulfonyl]ethyl]-
CID 571666
2-{[2-(Phenylsulfonyl)ethyl]thio}-5-(trifluoromethyl)pyridine
CID 2820396
3-(2,4-Difluorophenyl)-2-(2-pyridylsulfonyl)acrylonitrile
CID 5703047
(E)-5-(4-fluorostyryl)-2-(4-fluorophenylsulfonyl)pyridine
CID 21099448
Phenyl 4-pyridylmethyl sulfone
CID 3765034
2-Pyridinesulfonylacetonitrile
CID 519355
6-[(3,4-Difluorophenyl)thio]-5-[(ethylamino)methyl]-pyridine-3-sulfonamide
CID 46888137
1,1,1-trifluoro-N-((1-(2-(2-fluorophenylsulfonyl)pyridin-3-ylsulfonyl)piperidin-4-yl)methyl)methanesulfonamide
CID 52948135
N-(2-methylpropyl)-N-[[4-(6-methylsulfonyl-3-pyridinyl)phenyl]methyl]-1-phenylmethanesulfonamide
CID 90656082
2-(Benzenesulfonyl)-5-[(5-methyl-3-pyridinyl)methyl]pyridine
CID 137633095
2-(2-Fluorophenyl)sulfonyl-5-[(5-methyl-3-pyridinyl)methyl]pyridine
CID 137651744
2-[(E)-2-(2-fluorophenyl)ethenyl]sulfonyl-3-(trifluoromethyl)pyridine
CID 155545372

Frequently Asked Questions

What is the IUPAC name of (Z)-3-fluoro-4-[(5-propan-2-yl-2-pyridinyl)sulfonyl]but-2-en-1-amine?
The IUPAC name of (Z)-3-fluoro-4-[(5-propan-2-yl-2-pyridinyl)sulfonyl]but-2-en-1-amine (CID 146317786) is (Z)-3-fluoro-4-[(5-propan-2-yl-2-pyridinyl)sulfonyl]but-2-en-1-amine.
What is the SMILES notation for (Z)-3-fluoro-4-[(5-propan-2-yl-2-pyridinyl)sulfonyl]but-2-en-1-amine?
The canonical SMILES for (Z)-3-fluoro-4-[(5-propan-2-yl-2-pyridinyl)sulfonyl]but-2-en-1-amine is CC(C)c1ccc(S(=O)(=O)C/C(F)=C/CN)nc1.
What is the InChIKey of (Z)-3-fluoro-4-[(5-propan-2-yl-2-pyridinyl)sulfonyl]but-2-en-1-amine?
The InChIKey is GFAXRIQLKFNHIT-WZUFQYTHSA-N. The full InChI is InChI=1S/C12H17FN2O2S/c1-9(2)10-3-4-12(15-7-10)18(16,17)8-11(13)5-6-14/h3-5,7,9H,6,8,14H2,1-2H3/b11-5-.
What are the key properties of (Z)-3-fluoro-4-[(5-propan-2-yl-2-pyridinyl)sulfonyl]but-2-en-1-amine?
(Z)-3-fluoro-4-[(5-propan-2-yl-2-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-[(5-propan-2-yl-2-pyridinyl)sulfonyl]but-2-en-1-amine is sourced from PubChem (CID 146317786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).