[[(Z)-3-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-2-(methylamino)prop-1-enyl]amino]methanethiol

C15H21FN2S — CID 143208219

IUPAC[[(Z)-3-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-2-(methylamino)prop-1-enyl]amino]methanethiol
SMILESCN/C(=C\NCS)CC1CCCc2c(F)cccc21
InChIInChI=1S/C15H21FN2S/c1-17-12(9-18-10-19)8-11-4-2-6-14-13(11)5-3-7-15(14)16/h3,5,7,9,11,17-19H,2,4,6,8,10H2,1H3/b12-9-
InChIKeyXVRIXEFJQODSTI-XFXZXTDPSA-N
MW280.41 g/mol
LogP3.17
Rot. Bonds5

About [[(Z)-3-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-2-(methylamino)prop-1-enyl]amino]methanethiol

[[(Z)-3-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-2-(methylamino)prop-1-enyl]amino]methanethiol (PubChem CID 143208219) has the molecular formula C15H21FN2S and a molecular weight of 280.41 g/mol. Its IUPAC name is [[(Z)-3-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-2-(methylamino)prop-1-enyl]amino]methanethiol.

Molecular Properties

Compound Name[[(Z)-3-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-2-(methylamino)prop-1-enyl]amino]methanethiol
PubChem CID143208219
Molecular FormulaC15H21FN2S
Molecular Weight280.41 g/mol
Exact Mass280.14
IUPAC Name[[(Z)-3-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-2-(methylamino)prop-1-enyl]amino]methanethiol
SMILESCN/C(=C\NCS)CC1CCCc2c(F)cccc21
InChIInChI=1S/C15H21FN2S/c1-17-12(9-18-10-19)8-11-4-2-6-14-13(11)5-3-7-15(14)16/h3,5,7,9,11,17-19H,2,4,6,8,10H2,1H3/b12-9-
InChIKeyXVRIXEFJQODSTI-XFXZXTDPSA-N
XLogP3.17
TPSA24.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze [[(Z)-3-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-2-(methylamino)prop-1-enyl]amino]methanethiol 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

2-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)acetaldehyde
CID 112546957
2-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylethanamine
CID 84620948
ethyl 2-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)acetate
CID 86641632
1-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylpropan-2-amine
CID 83910622
(1R)-5-fluoro-1,2,3,4-tetrahydronaphthalen-1-ol
CID 129380109
7,12-difluoro-2-propyltricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
CID 20642739
5-fluoro-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
CID 83685405
methyl 3-[2-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylate
CID 148952326
4-fluoro-2,3-dihydro-1H-inden-1-amine;methanamine
CID 175262813
4-fluoro-2,3-dihydro-1H-indene-1-thiol
CID 83070034
5-(2-bromoethyl)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 57052297
1-ethylsulfanyl-4-fluoro-2,3-dihydro-1H-indene
CID 130671865

Frequently Asked Questions

What is the IUPAC name of [[(Z)-3-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-2-(methylamino)prop-1-enyl]amino]methanethiol?
The IUPAC name of [[(Z)-3-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-2-(methylamino)prop-1-enyl]amino]methanethiol (CID 143208219) is [[(Z)-3-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-2-(methylamino)prop-1-enyl]amino]methanethiol.
What is the SMILES notation for [[(Z)-3-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-2-(methylamino)prop-1-enyl]amino]methanethiol?
The canonical SMILES for [[(Z)-3-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-2-(methylamino)prop-1-enyl]amino]methanethiol is CN/C(=C\NCS)CC1CCCc2c(F)cccc21.
What is the InChIKey of [[(Z)-3-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-2-(methylamino)prop-1-enyl]amino]methanethiol?
The InChIKey is XVRIXEFJQODSTI-XFXZXTDPSA-N. The full InChI is InChI=1S/C15H21FN2S/c1-17-12(9-18-10-19)8-11-4-2-6-14-13(11)5-3-7-15(14)16/h3,5,7,9,11,17-19H,2,4,6,8,10H2,1H3/b12-9-.
What are the key properties of [[(Z)-3-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-2-(methylamino)prop-1-enyl]amino]methanethiol?
[[(Z)-3-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-2-(methylamino)prop-1-enyl]amino]methanethiol has a molecular weight of 280.41 g/mol, XLogP of 3.17, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[(Z)-3-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-2-(methylamino)prop-1-enyl]amino]methanethiol is sourced from PubChem (CID 143208219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).