(Z,4Z)-4-ethylidene-1-fluoro-7-(1-oxo-3,6-dihydro-2H-thiopyran-4-yl)oct-5-en-2-amine

C15H24FNOS — CID 143418320

IUPAC(Z,4Z)-4-ethylidene-1-fluoro-7-(1-oxo-3,6-dihydro-2H-thiopyran-4-yl)oct-5-en-2-amine
SMILESC/C=C(\C=C/C(C)C1=CCS(=O)CC1)CC(N)CF
InChIInChI=1S/C15H24FNOS/c1-3-13(10-15(17)11-16)5-4-12(2)14-6-8-19(18)9-7-14/h3-6,12,15H,7-11,17H2,1-2H3/b5-4-,13-3+
InChIKeyUSWYOQAAVFGVTP-BNXXKACXSA-N
MW285.43 g/mol
LogP2.89
Rot. Bonds6

About (Z,4Z)-4-ethylidene-1-fluoro-7-(1-oxo-3,6-dihydro-2H-thiopyran-4-yl)oct-5-en-2-amine

(Z,4Z)-4-ethylidene-1-fluoro-7-(1-oxo-3,6-dihydro-2H-thiopyran-4-yl)oct-5-en-2-amine (PubChem CID 143418320) has the molecular formula C15H24FNOS and a molecular weight of 285.43 g/mol. Its IUPAC name is (Z,4Z)-4-ethylidene-1-fluoro-7-(1-oxo-3,6-dihydro-2H-thiopyran-4-yl)oct-5-en-2-amine.

Molecular Properties

Compound Name(Z,4Z)-4-ethylidene-1-fluoro-7-(1-oxo-3,6-dihydro-2H-thiopyran-4-yl)oct-5-en-2-amine
PubChem CID143418320
Molecular FormulaC15H24FNOS
Molecular Weight285.43 g/mol
Exact Mass285.16
IUPAC Name(Z,4Z)-4-ethylidene-1-fluoro-7-(1-oxo-3,6-dihydro-2H-thiopyran-4-yl)oct-5-en-2-amine
SMILESC/C=C(\C=C/C(C)C1=CCS(=O)CC1)CC(N)CF
InChIInChI=1S/C15H24FNOS/c1-3-13(10-15(17)11-16)5-4-12(2)14-6-8-19(18)9-7-14/h3-6,12,15H,7-11,17H2,1-2H3/b5-4-,13-3+
InChIKeyUSWYOQAAVFGVTP-BNXXKACXSA-N
XLogP2.89
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (Z,4Z)-4-ethylidene-1-fluoro-7-(1-oxo-3,6-dihydro-2H-thiopyran-4-yl)oct-5-en-2-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

1-(4-Cyclopentylsulfinyl-4-methylcyclohexa-1,5-dien-1-yl)-3-fluoropropan-2-amine
CID 129313618
Cyclopropyl-(5-ethylsulfinyl-6-methylidenecyclohexa-2,4-dien-1-yl)methanamine
CID 123714530
(Z,4Z)-4-ethylidene-7-(1-oxo-3,6-dihydro-2H-thiopyran-4-yl)-1-phosphanyloct-5-en-2-amine
CID 129313471
ethane;(Z,4Z)-4-ethylidene-1-fluoro-7-(1-oxo-3,6-dihydro-2H-thiopyran-4-yl)oct-5-en-2-amine;methoxymethane
CID 143418319
5-(Propan-2-ylsulfonylmethyl)cyclohexa-2,4-dien-1-amine
CID 163949009
(1S)-1-(2-tert-butylsulfinylcyclopenta-2,4-dien-1-yl)-2-methylpropan-1-amine
CID 102394617

Frequently Asked Questions

What is the IUPAC name of (Z,4Z)-4-ethylidene-1-fluoro-7-(1-oxo-3,6-dihydro-2H-thiopyran-4-yl)oct-5-en-2-amine?
The IUPAC name of (Z,4Z)-4-ethylidene-1-fluoro-7-(1-oxo-3,6-dihydro-2H-thiopyran-4-yl)oct-5-en-2-amine (CID 143418320) is (Z,4Z)-4-ethylidene-1-fluoro-7-(1-oxo-3,6-dihydro-2H-thiopyran-4-yl)oct-5-en-2-amine.
What is the SMILES notation for (Z,4Z)-4-ethylidene-1-fluoro-7-(1-oxo-3,6-dihydro-2H-thiopyran-4-yl)oct-5-en-2-amine?
The canonical SMILES for (Z,4Z)-4-ethylidene-1-fluoro-7-(1-oxo-3,6-dihydro-2H-thiopyran-4-yl)oct-5-en-2-amine is C/C=C(\C=C/C(C)C1=CCS(=O)CC1)CC(N)CF.
What is the InChIKey of (Z,4Z)-4-ethylidene-1-fluoro-7-(1-oxo-3,6-dihydro-2H-thiopyran-4-yl)oct-5-en-2-amine?
The InChIKey is USWYOQAAVFGVTP-BNXXKACXSA-N. The full InChI is InChI=1S/C15H24FNOS/c1-3-13(10-15(17)11-16)5-4-12(2)14-6-8-19(18)9-7-14/h3-6,12,15H,7-11,17H2,1-2H3/b5-4-,13-3+.
What are the key properties of (Z,4Z)-4-ethylidene-1-fluoro-7-(1-oxo-3,6-dihydro-2H-thiopyran-4-yl)oct-5-en-2-amine?
(Z,4Z)-4-ethylidene-1-fluoro-7-(1-oxo-3,6-dihydro-2H-thiopyran-4-yl)oct-5-en-2-amine has a molecular weight of 285.43 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4Z)-4-ethylidene-1-fluoro-7-(1-oxo-3,6-dihydro-2H-thiopyran-4-yl)oct-5-en-2-amine is sourced from PubChem (CID 143418320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).